4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid

C15H19Cl2NO2 — CID 122030535

IUPAC4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H19Cl2NO2/c16-13-3-1-2-10(14(13)17)8-9-18-12-6-4-11(5-7-12)15(19)20/h1-3,11-12,18H,4-9H2,(H,19,20)
InChIKeyWQOCDUICAYKJDB-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.77
Rot. Bonds5

About 4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid

4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid (PubChem CID 122030535) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid
PubChem CID122030535
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H19Cl2NO2/c16-13-3-1-2-10(14(13)17)8-9-18-12-6-4-11(5-7-12)15(19)20/h1-3,11-12,18H,4-9H2,(H,19,20)
InChIKeyWQOCDUICAYKJDB-UHFFFAOYSA-N
XLogP3.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid 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

4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672916
4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid
CID 122031153
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 63064027
4-[(2-chloro-6-ethylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509713
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
4-[2-(5-chloro-2-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122032254
4-[(2-bromophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810049
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961
3-amino-N-[2-(2,3-dichlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736254
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
4-[2-(1H-pyrrol-3-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 115149129

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid (CID 122030535) is 4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCCc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid?
The InChIKey is WQOCDUICAYKJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c16-13-3-1-2-10(14(13)17)8-9-18-12-6-4-11(5-7-12)15(19)20/h1-3,11-12,18H,4-9H2,(H,19,20).
What are the key properties of 4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid?
4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid has a molecular weight of 316.23 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122030535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).