2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid

C15H20ClNO2 — CID 61446336

IUPAC2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid
SMILESCC1CCCC(N(C)c2cccc(Cl)c2C(=O)O)C1
InChIInChI=1S/C15H20ClNO2/c1-10-5-3-6-11(9-10)17(2)13-8-4-7-12(16)14(13)15(18)19/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,18,19)
InChIKeyZVGBGXSCGWPNMU-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.05
Rot. Bonds3

About 2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid

2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid (PubChem CID 61446336) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid
PubChem CID61446336
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid
SMILESCC1CCCC(N(C)c2cccc(Cl)c2C(=O)O)C1
InChIInChI=1S/C15H20ClNO2/c1-10-5-3-6-11(9-10)17(2)13-8-4-7-12(16)14(13)15(18)19/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,18,19)
InChIKeyZVGBGXSCGWPNMU-UHFFFAOYSA-N
XLogP4.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid (CID 61446336) is 2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid is CC1CCCC(N(C)c2cccc(Cl)c2C(=O)O)C1.
What is the InChIKey of 2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid?
The InChIKey is ZVGBGXSCGWPNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10-5-3-6-11(9-10)17(2)13-8-4-7-12(16)14(13)15(18)19/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid?
2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid has a molecular weight of 281.78 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid is sourced from PubChem (CID 61446336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).