ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate

C16H22ClNO2 — CID 67129632

IUPACethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(N)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H22ClNO2/c1-2-20-16(19)10-11-3-8-15(18)14(9-11)12-4-6-13(17)7-5-12/h4-7,11,14-15H,2-3,8-10,18H2,1H3
InChIKeyVEVCIDYQDMXRPK-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.50
Rot. Bonds4

About ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate

ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate (PubChem CID 67129632) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate
PubChem CID67129632
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Nameethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(N)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H22ClNO2/c1-2-20-16(19)10-11-3-8-15(18)14(9-11)12-4-6-13(17)7-5-12/h4-7,11,14-15H,2-3,8-10,18H2,1H3
InChIKeyVEVCIDYQDMXRPK-UHFFFAOYSA-N
XLogP3.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenylalanine, 4-chloro-, methyl ester
CID 26532
Baclofen zwitterion
CID 78422631
4-Chloro-DL-phenylalanine methyl ester hydrochloride
CID 2733277
Ethyl 4-amino-2-(4-chlorophenyl)butanoate--hydrogen chloride (1/1)
CID 48211
Ethyl 4-{[(4-chlorobenzyl)amino]methyl}cyclohexanecarboxylate
CID 5019658
DL-4-Chlorophenylalanine ethyl ester hydrochloride
CID 2723926
4-Chloro-d-phenylalanine methyl ester
CID 827422
Ethyl 3-amino-2-(4-chlorophenyl)propanoate
CID 117536149
4-Chlorophenylalanine ethyl ester
CID 170144
4-Chloro-L-phenylalanine methyl ester
CID 827424
4-Chloro-L-phenylalanine methyl ester hydrochloride
CID 23619157
Ethyl 2-amino-3-(4-chlorophenyl)propanoate
CID 568422

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate (CID 67129632) is ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate is CCOC(=O)CC1CCC(N)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate?
The InChIKey is VEVCIDYQDMXRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-20-16(19)10-11-3-8-15(18)14(9-11)12-4-6-13(17)7-5-12/h4-7,11,14-15H,2-3,8-10,18H2,1H3.
What are the key properties of ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate?
ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate has a molecular weight of 295.81 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate is sourced from PubChem (CID 67129632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).