5-amino-2-(1-cyclohexylethylamino)benzoic acid

C15H22N2O2 — CID 62407430

IUPAC5-amino-2-(1-cyclohexylethylamino)benzoic acid
SMILESCC(Nc1ccc(N)cc1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(16)9-13(14)15(18)19/h7-11,17H,2-6,16H2,1H3,(H,18,19)
InChIKeyBNZCWUGKWGLXOK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.35
Rot. Bonds4

About 5-amino-2-(1-cyclohexylethylamino)benzoic acid

5-amino-2-(1-cyclohexylethylamino)benzoic acid (PubChem CID 62407430) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-amino-2-(1-cyclohexylethylamino)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(1-cyclohexylethylamino)benzoic acid
PubChem CID62407430
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-amino-2-(1-cyclohexylethylamino)benzoic acid
SMILESCC(Nc1ccc(N)cc1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(16)9-13(14)15(18)19/h7-11,17H,2-6,16H2,1H3,(H,18,19)
InChIKeyBNZCWUGKWGLXOK-UHFFFAOYSA-N
XLogP3.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-(1-cyclohexylethylamino)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

4-(1-cyclohexylethylamino)-2,3-difluorobenzoic acid
CID 79837521
5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid
CID 107195657
5-amino-2-(cycloheptanecarbonylamino)benzoic acid
CID 63116326
2-amino-4-bromo-5-(1-cyclopentylethylamino)benzoic acid
CID 114278326
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid
CID 60661669
3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide
CID 82989134
5-amino-2-(pentan-3-ylamino)benzoic acid
CID 60989133
5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide
CID 100655389
4-amino-N-[(1R)-1-cyclohexylethyl]-2-fluorobenzamide
CID 94431767
5-amino-2-(methylamino)benzoic acid
CID 19006283
2-(1-cyclopropylethylamino)-4-methylbenzoic acid
CID 62711831

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-cyclohexylethylamino)benzoic acid?
The IUPAC name of 5-amino-2-(1-cyclohexylethylamino)benzoic acid (CID 62407430) is 5-amino-2-(1-cyclohexylethylamino)benzoic acid.
What is the SMILES notation for 5-amino-2-(1-cyclohexylethylamino)benzoic acid?
The canonical SMILES for 5-amino-2-(1-cyclohexylethylamino)benzoic acid is CC(Nc1ccc(N)cc1C(=O)O)C1CCCCC1.
What is the InChIKey of 5-amino-2-(1-cyclohexylethylamino)benzoic acid?
The InChIKey is BNZCWUGKWGLXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(16)9-13(14)15(18)19/h7-11,17H,2-6,16H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-(1-cyclohexylethylamino)benzoic acid?
5-amino-2-(1-cyclohexylethylamino)benzoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-cyclohexylethylamino)benzoic acid is sourced from PubChem (CID 62407430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).