2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid

C15H20FNO2 — CID 79511856

IUPAC2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid
SMILESCC1CCC(N(C)c2cccc(F)c2C(=O)O)CC1
InChIInChI=1S/C15H20FNO2/c1-10-6-8-11(9-7-10)17(2)13-5-3-4-12(16)14(13)15(18)19/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)
InChIKeyRMRMJBRVAGCPNJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.54
Rot. Bonds3

About 2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid

2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid (PubChem CID 79511856) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid
PubChem CID79511856
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid
SMILESCC1CCC(N(C)c2cccc(F)c2C(=O)O)CC1
InChIInChI=1S/C15H20FNO2/c1-10-6-8-11(9-7-10)17(2)13-5-3-4-12(16)14(13)15(18)19/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)
InChIKeyRMRMJBRVAGCPNJ-UHFFFAOYSA-N
XLogP3.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-ethylpiperidin-4-yl)-methylamino]-6-fluorobenzoic acid
CID 79512417
(1R)-1-[2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63371251
2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid
CID 43267297
2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid
CID 43614200
1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone
CID 54942906
N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride
CID 138393814
2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 61446336
1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-fluorophenyl]ethanone
CID 43648808
2-[2-cyanoethyl(cyclopropyl)amino]-6-fluorobenzoic acid
CID 114065219
2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 81053226
1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone
CID 82739978
2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 79522764

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid (CID 79511856) is 2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid is CC1CCC(N(C)c2cccc(F)c2C(=O)O)CC1.
What is the InChIKey of 2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid?
The InChIKey is RMRMJBRVAGCPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10-6-8-11(9-7-10)17(2)13-5-3-4-12(16)14(13)15(18)19/h3-5,10-11H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid?
2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid is sourced from PubChem (CID 79511856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).