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
-2.2366 1.3179 -2.6258 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9803 0.2988 -1.7817 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3475 0.3398 -0.4498 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9897 -0.1802 -0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2573 -0.0201 0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1396 -0.4944 0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5447 -1.7310 1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8716 -2.1060 1.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8531 -1.2056 0.6952 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4709 0.0587 0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1124 0.4077 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4616 1.0685 -0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7460 0.8942 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1671 -0.4369 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5046 0.2320 0.7345 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6104 1.9932 -2.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6160 0.7872 -3.3924 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9430 1.9670 -3.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0027 0.6730 -1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8867 -0.6872 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1134 -1.2121 -0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5209 0.3694 -1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2368 1.0525 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7386 -0.5416 1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8240 -2.4491 1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1464 -3.1149 1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8857 -1.5299 0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8742 1.4179 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0842 2.0214 -0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4221 1.6734 -0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1368 -0.0439 0.3331 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6462 -0.4922 1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2751 -1.4452 0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9439 -0.3219 1.6013 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1912 0.1721 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3653 1.2675 1.0874 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