2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid

C16H24N2O2 — CID 104500830

IUPAC2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid
SMILESCC(C)C1CCCCC1Nc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C16H24N2O2/c1-10(2)12-5-3-4-6-15(12)18-11-7-8-13(16(19)20)14(17)9-11/h7-10,12,15,18H,3-6,17H2,1-2H3,(H,19,20)
InChIKeyRANARRDKODSHEO-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.59
Rot. Bonds4

About 2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid

2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid (PubChem CID 104500830) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid.

Molecular Properties

Compound Name2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid
PubChem CID104500830
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid
SMILESCC(C)C1CCCCC1Nc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C16H24N2O2/c1-10(2)12-5-3-4-6-15(12)18-11-7-8-13(16(19)20)14(17)9-11/h7-10,12,15,18H,3-6,17H2,1-2H3,(H,19,20)
InChIKeyRANARRDKODSHEO-UHFFFAOYSA-N
XLogP3.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4-[(2-propan-2-ylcyclohexyl)amino]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-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)benzoic acid
CID 113419764
2-amino-4-[(1-methylpiperidin-3-yl)amino]benzoic acid
CID 104500309
2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile
CID 102624577
5-methyl-3-N-(2-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 112648163
2-amino-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 104500472
2-amino-5-(cyclooctylamino)benzoic acid
CID 60989029
3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid
CID 107062908
1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone
CID 104528885
4-[(2-ethylcyclohexyl)amino]-2-methylbenzoic acid
CID 81281868
2-amino-4-(4-methylpentan-2-ylamino)benzoic acid
CID 104500250
1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone
CID 104612930
4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride
CID 119775791

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid?
The IUPAC name of 2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid (CID 104500830) is 2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid.
What is the SMILES notation for 2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid?
The canonical SMILES for 2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid is CC(C)C1CCCCC1Nc1ccc(C(=O)O)c(N)c1.
What is the InChIKey of 2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid?
The InChIKey is RANARRDKODSHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)12-5-3-4-6-15(12)18-11-7-8-13(16(19)20)14(17)9-11/h7-10,12,15,18H,3-6,17H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid?
2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid has a molecular weight of 276.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid is sourced from PubChem (CID 104500830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).