4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid

C15H20FNO2 — CID 63510522

IUPAC4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
SMILESCC1CCCC(Nc2ccc(C(=O)O)cc2F)C1C
InChIInChI=1S/C15H20FNO2/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15(18)19)8-12(14)16/h6-10,13,17H,3-5H2,1-2H3,(H,18,19)
InChIKeyHRHDFUDHGWJWIA-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.76
Rot. Bonds3

About 4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid

4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid (PubChem CID 63510522) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
PubChem CID63510522
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
SMILESCC1CCCC(Nc2ccc(C(=O)O)cc2F)C1C
InChIInChI=1S/C15H20FNO2/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15(18)19)8-12(14)16/h6-10,13,17H,3-5H2,1-2H3,(H,18,19)
InChIKeyHRHDFUDHGWJWIA-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043893
2-amino-6-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 83215255
N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
CID 64760115
5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
CID 64761802
3-fluoro-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 63511861
2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043851
methyl 3-amino-4-[(2,3-dimethylcyclohexyl)amino]benzoate
CID 61305643
3-fluoro-4-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 79187579
4-fluoro-3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 107452900
2-[(2,3-dimethylcyclopentyl)amino]-5-fluorobenzoic acid
CID 64922679
4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide
CID 55169514
4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
CID 103871804

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid (CID 63510522) is 4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid is CC1CCCC(Nc2ccc(C(=O)O)cc2F)C1C.
What is the InChIKey of 4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid?
The InChIKey is HRHDFUDHGWJWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15(18)19)8-12(14)16/h6-10,13,17H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid?
4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 63510522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).