2-[(cyclohexylamino)methyl]benzoic acid

C14H19NO2 — CID 17156908

IUPAC2-[(cyclohexylamino)methyl]benzoic acid
SMILESO=C(O)c1ccccc1CNC1CCCCC1
InChIInChI=1S/C14H19NO2/c16-14(17)13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h4-6,9,12,15H,1-3,7-8,10H2,(H,16,17)
InChIKeyKVFMPRDAODYNRH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.81
Rot. Bonds4

About 2-[(cyclohexylamino)methyl]benzoic acid

2-[(cyclohexylamino)methyl]benzoic acid (PubChem CID 17156908) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(cyclohexylamino)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(cyclohexylamino)methyl]benzoic acid
PubChem CID17156908
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[(cyclohexylamino)methyl]benzoic acid
SMILESO=C(O)c1ccccc1CNC1CCCCC1
InChIInChI=1S/C14H19NO2/c16-14(17)13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h4-6,9,12,15H,1-3,7-8,10H2,(H,16,17)
InChIKeyKVFMPRDAODYNRH-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(cyclohexylamino)methyl]benzoic 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

2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride
CID 17156907
2-[[[3,5-bis[(2-carboxyphenyl)methylamino]cyclohexyl]amino]methyl]benzoic acid
CID 102081252
2-[2-(cyclopentylamino)ethyl]benzoic acid
CID 82934034
2-[(oxolan-3-ylamino)methyl]benzoic acid
CID 103258434
2-[[(3,5-dimethylcyclohexyl)amino]methyl]benzoic acid
CID 103254565
2-[(cyclopentyloxyamino)methyl]benzoic acid
CID 103262137
2-[[(3,4-dimethylcyclohexyl)amino]methyl]benzoic acid
CID 103253362
2-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251682
methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
CID 115461578
N-[2-[(cyclohexylamino)methyl]phenyl]acetamide
CID 66289861
2-[(cyclobutylamino)methyl]-5-methylbenzoic acid
CID 117220813
3-[(cyclohexylamino)methyl]-4-fluorobenzoic acid
CID 107452338

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohexylamino)methyl]benzoic acid?
The IUPAC name of 2-[(cyclohexylamino)methyl]benzoic acid (CID 17156908) is 2-[(cyclohexylamino)methyl]benzoic acid.
What is the SMILES notation for 2-[(cyclohexylamino)methyl]benzoic acid?
The canonical SMILES for 2-[(cyclohexylamino)methyl]benzoic acid is O=C(O)c1ccccc1CNC1CCCCC1.
What is the InChIKey of 2-[(cyclohexylamino)methyl]benzoic acid?
The InChIKey is KVFMPRDAODYNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(17)13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h4-6,9,12,15H,1-3,7-8,10H2,(H,16,17).
What are the key properties of 2-[(cyclohexylamino)methyl]benzoic acid?
2-[(cyclohexylamino)methyl]benzoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexylamino)methyl]benzoic acid is sourced from PubChem (CID 17156908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).