ethyl 2-[(4-chlorophenyl)methyl]-3-(methylamino)propanoate

ethyl 2-[(4-chlorophenyl)methyl]-3-(methylamino)propanoate

CAS: 886364-67-6

Formula: C13H18ClNO2

SMILES: CCOC(=O)C(CNC)CC1=CC=C(Cl)C=C1

IUPAC: ethyl 2-[(4-chlorophenyl)methyl]-3-(methylamino)propanoate

InChI: InChI=1/C13H18ClNO2/c1-3-17-13(16)11(9-15-2)8-10-4-6-12(14)7-5-10/h4-7,11,15H,3,8-9H2,1-2H3

Composition: C (61.05%), H (7.09%), Cl (13.86%), N (5.48%), O (12.51%)

Molar Mass: 255.74

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	255.1026065
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PRNOKYQJYNTYMR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.07
Topological Polar Surface Area	38.33
Polarizability	27.37
Ring Count	1
Rotatable Bond Count	7

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