2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid

C16H23FN2O2 — CID 83205945

IUPAC2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid
SMILESCC1CCCC(CCNc2ccc(F)c(N)c2C(=O)O)C1
InChIInChI=1S/C16H23FN2O2/c1-10-3-2-4-11(9-10)7-8-19-13-6-5-12(17)15(18)14(13)16(20)21/h5-6,10-11,19H,2-4,7-9,18H2,1H3,(H,20,21)
InChIKeyOJYHDOCWTZJWHP-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.73
Rot. Bonds5

About 2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid

2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid (PubChem CID 83205945) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid
PubChem CID83205945
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid
SMILESCC1CCCC(CCNc2ccc(F)c(N)c2C(=O)O)C1
InChIInChI=1S/C16H23FN2O2/c1-10-3-2-4-11(9-10)7-8-19-13-6-5-12(17)15(18)14(13)16(20)21/h5-6,10-11,19H,2-4,7-9,18H2,1H3,(H,20,21)
InChIKeyOJYHDOCWTZJWHP-UHFFFAOYSA-N
XLogP3.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]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-6-(3-cyclopentylpropylamino)-3-fluorobenzoic acid
CID 106003908
2-bromo-3-fluoro-4-[2-(3-methylcyclohexyl)ethylamino]benzoic acid
CID 107540332
4-iodo-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,2-diamine
CID 66079741
2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid
CID 83215411
2-amino-3-fluoro-6-(hexylamino)benzoic acid
CID 83207621
2-amino-3-fluoro-6-[(1-methylpyrrolidin-2-yl)methylamino]benzoic acid
CID 106019666
3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
CID 105382378
2-amino-6-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 83215255
4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide
CID 133471325
2-amino-3-fluoro-6-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid
CID 83207393
3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine
CID 104540431
2-amino-6-[(4-ethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 83215667

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid?
The IUPAC name of 2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid (CID 83205945) is 2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid.
What is the SMILES notation for 2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid?
The canonical SMILES for 2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid is CC1CCCC(CCNc2ccc(F)c(N)c2C(=O)O)C1.
What is the InChIKey of 2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid?
The InChIKey is OJYHDOCWTZJWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-10-3-2-4-11(9-10)7-8-19-13-6-5-12(17)15(18)14(13)16(20)21/h5-6,10-11,19H,2-4,7-9,18H2,1H3,(H,20,21).
What are the key properties of 2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid?
2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid has a molecular weight of 294.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid is sourced from PubChem (CID 83205945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).