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

2-[(1R,3S,4R)-4-amino-3-(4-chlorophenyl)cyclohexyl]acetic acid
CID 123983611
ethyl 2-[3-(4-chlorophenoxy)-4-oxocyclohexyl]acetate
CID 54106464
2-[(1R,3S,4R)-4-amino-3-(4-fluorophenyl)cyclohexyl]acetic acid
CID 123536470
trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine
CID 39236206
2-(4-chlorophenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020573
ethyl 2-[(1R,3S,4R)-4-(cycloheptylamino)-3-[4-(trifluoromethyl)phenyl]cyclohexyl]acetate
CID 67129622
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
methyl (3R,4S)-4-(4-chlorophenyl)-1-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate
CID 11100300
ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate
CID 20792284
methyl (2R)-2-(4-chlorophenyl)-4-propylcyclohexane-1-carboxylate
CID 171633291
ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate
CID 135741391
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917

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).