4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid

C15H19ClFNO2 — CID 122034889

IUPAC4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
SMILESC[C@@H](NC1CCC(C(=O)O)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H19ClFNO2/c1-9(13-7-4-11(17)8-14(13)16)18-12-5-2-10(3-6-12)15(19)20/h4,7-10,12,18H,2-3,5-6H2,1H3,(H,19,20)/t9-,10?,12?/m1/s1
InChIKeyLLWPYZAINKWGTL-GRZMOONWSA-N
MW299.77 g/mol
LogP3.77
Rot. Bonds4

About 4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid

4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122034889) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122034889
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
SMILESC[C@@H](NC1CCC(C(=O)O)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H19ClFNO2/c1-9(13-7-4-11(17)8-14(13)16)18-12-5-2-10(3-6-12)15(19)20/h4,7-10,12,18H,2-3,5-6H2,1H3,(H,19,20)/t9-,10?,12?/m1/s1
InChIKeyLLWPYZAINKWGTL-GRZMOONWSA-N
XLogP3.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]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-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673773
1-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122002832
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine
CID 130625932
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210865
1-[4-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]-2,2,2-trifluoroethanone
CID 141123025
4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054573
4-[(2-chloro-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 102616799
4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid
CID 122031584
5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol
CID 55145915
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438888

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid (CID 122034889) is 4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid is C[C@@H](NC1CCC(C(=O)O)CC1)c1ccc(F)cc1Cl.
What is the InChIKey of 4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is LLWPYZAINKWGTL-GRZMOONWSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-9(13-7-4-11(17)8-14(13)16)18-12-5-2-10(3-6-12)15(19)20/h4,7-10,12,18H,2-3,5-6H2,1H3,(H,19,20)/t9-,10?,12?/m1/s1.
What are the key properties of 4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 299.77 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122034889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).