Monomers
m-[2-(Diethylamino)ethyl]styrene
Identifiers
IUPAC name
2-(3-ethenylphenyl)-N,N-diethylethanamine
InchI
InChI=1S/C14H21N/c1-4-13-8-7-9-14(12-13)10-11-15(5-2)6-3/h4,7-9,12H,1,5-6,10-11H2,2-3H3
InchI Key
UTQHMFFTYBUYGA-UHFFFAOYSA-N
SMILES
CCN(CCc1cccc(c1)C=C)CC
Canonical SMILES
CCN(CC)CCC1=CC(=CC=C1)C=C
Isomeric SMILES
CCN(CC)CCC1=CC(=CC=C1)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H21N
Heavy Atom Count
15
Molecular Weight
203.329
Exact Molecular Weight
203.1674
Valence Electrons
82
Radical Electrons
0
tPSA
3.24
MolLogP
3.2139
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
36 36 0 0 0 0 0 0 0 0999 V2000
-3.0977 0.0787 2.1797 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3255 -0.6748 0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3528 -0.3461 -0.0561 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0184 -0.7182 0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1438 -0.3763 -1.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2676 -0.7805 -0.7765 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7348 -2.0440 -1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0524 -2.4015 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9322 -1.4578 -0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4885 -0.1818 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1820 0.1352 -0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3853 0.8063 0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0894 2.0852 0.6471 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6656 0.5674 -1.0808 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8397 1.9457 -0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0110 0.1666 2.3655 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6031 -0.4222 3.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5224 1.1030 2.0342 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3585 -0.4192 0.5097 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3883 -1.7689 1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8608 -1.7822 0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5906 -0.1293 0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1180 0.7206 -1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5287 -0.8552 -1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0843 -2.8025 -1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4457 -3.3936 -0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9740 -1.7341 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7562 1.1186 -0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3420 0.4786 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7736 2.7936 1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1746 2.4982 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6791 0.2861 -1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9868 0.5636 -1.9453 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1203 2.0918 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6126 2.7518 -1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8588 2.0974 -0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 2 3
3 14 1 0
14 15 1 0
11 6 1 0
1 16 1 0
1 17 1 0
1 18 1 0
2 19 1 0
2 20 1 0
4 21 1 0
4 22 1 0
5 23 1 0
5 24 1 0
7 25 1 0
8 26 1 0
9 27 1 0
11 28 1 0
12 29 1 0
13 30 1 0
13 31 1 0
14 32 1 0
14 33 1 0
15 34 1 0
15 35 1 0
15 36 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers