4-(cyclohexylmethylamino)benzoic acid

C14H19NO2 — CID 13273360

IUPAC4-(cyclohexylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C14H19NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2,(H,16,17)
InChIKeyWLIRKCBULLQDPV-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.38
Rot. Bonds4

About 4-(cyclohexylmethylamino)benzoic acid

4-(cyclohexylmethylamino)benzoic acid (PubChem CID 13273360) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(cyclohexylmethylamino)benzoic acid.

Molecular Properties

Compound Name4-(cyclohexylmethylamino)benzoic acid
PubChem CID13273360
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(cyclohexylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C14H19NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2,(H,16,17)
InChIKeyWLIRKCBULLQDPV-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(cyclohexylmethylamino)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

N-benzoyl-4-(cyclohexylmethylamino)benzamide
CID 13273362
1-[4-(cyclopentylmethylamino)phenyl]propan-1-one
CID 114066650
4-(cyclobutylmethylamino)benzamide
CID 65459398
4-(cyclooctylmethylamino)phenol
CID 53404225
4-[(cyclooctylmethylamino)methyl]benzoic acid
CID 122030513
4-(2-cyclohexyloxyethylamino)benzoic acid
CID 63827610
4-(cyclohexylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709782
[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 90728867
4-(pyrrolidin-2-ylmethylamino)benzoic acid
CID 106636873
4-amino-3-(cyclohexylmethylamino)benzoic acid
CID 82785208
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylamino)benzoic acid?
The IUPAC name of 4-(cyclohexylmethylamino)benzoic acid (CID 13273360) is 4-(cyclohexylmethylamino)benzoic acid.
What is the SMILES notation for 4-(cyclohexylmethylamino)benzoic acid?
The canonical SMILES for 4-(cyclohexylmethylamino)benzoic acid is O=C(O)c1ccc(NCC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylmethylamino)benzoic acid?
The InChIKey is WLIRKCBULLQDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2,(H,16,17).
What are the key properties of 4-(cyclohexylmethylamino)benzoic acid?
4-(cyclohexylmethylamino)benzoic acid has a molecular weight of 233.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylamino)benzoic acid is sourced from PubChem (CID 13273360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).