Monomers
2-[Methyl(phenyl)amino]ethyl 2-methylprop-2-enoate
Identifiers
IUPAC name
2-(N-methylanilino)ethyl 2-methylprop-2-enoate
InchI
InChI=1S/C13H17NO2/c1-11(2)13(15)16-10-9-14(3)12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3
InchI Key
MBOCINIPIHLPHH-UHFFFAOYSA-N
SMILES
CN(c1ccccc1)CCOC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)OCCN(C)C1=CC=CC=C1
Isomeric SMILES
CC(=C)C(=O)OCCN(C)C1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C13H17NO2
Heavy Atom Count
16
Molecular Weight
219.284
Exact Molecular Weight
219.1259
Valence Electrons
86
Radical Electrons
0
tPSA
29.54
MolLogP
2.2421
H Bond Acceptors
3
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
33 33 0 0 0 0 0 0 0 0999 V2000
-1.9380 -2.5886 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4509 -1.2061 -0.1553 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3687 -0.1520 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7745 -0.0422 1.4758 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6517 0.9562 1.8383 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1101 1.8319 0.8751 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6945 1.7061 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8148 0.7152 -0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0927 -0.8454 -0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8152 -1.3527 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1725 -1.0429 0.3632 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6823 0.2319 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8449 1.1737 0.3876 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0770 0.5619 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0285 -0.3396 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4596 2.0062 -0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8369 -3.0691 -1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4345 -3.1769 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0003 -2.5772 0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4260 -0.7250 2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9833 1.0615 2.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7886 2.5975 1.1774 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0769 2.4087 -1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4855 0.6041 -1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0170 0.2431 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1500 -1.3437 -1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7066 -2.4462 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5344 -0.8306 1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7533 -1.3813 -0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0442 -0.0645 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6545 2.3159 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3691 2.1215 0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6526 2.6486 0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
2 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 2 0
12 14 1 0
14 15 2 3
14 16 1 0
8 3 1 0
1 17 1 0
1 18 1 0
1 19 1 0
4 20 1 0
5 21 1 0
6 22 1 0
7 23 1 0
8 24 1 0
9 25 1 0
9 26 1 0
10 27 1 0
10 28 1 0
15 29 1 0
15 30 1 0
16 31 1 0
16 32 1 0
16 33 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers