2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid

C15H20ClNO2 — CID 63511718

IUPAC2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid
SMILESCC1CCCCC1CNc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-10-4-2-3-5-11(10)9-17-12-6-7-13(15(18)19)14(16)8-12/h6-8,10-11,17H,2-5,9H2,1H3,(H,18,19)
InChIKeyAGAAJPDXOSJXPP-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.28
Rot. Bonds4

About 2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid

2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid (PubChem CID 63511718) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid
PubChem CID63511718
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid
SMILESCC1CCCCC1CNc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-10-4-2-3-5-11(10)9-17-12-6-7-13(15(18)19)14(16)8-12/h6-8,10-11,17H,2-5,9H2,1H3,(H,18,19)
InChIKeyAGAAJPDXOSJXPP-UHFFFAOYSA-N
XLogP4.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 104500472
4-[(2-methylcyclopentyl)methylamino]-2-(trifluoromethyl)benzoic acid
CID 107420706
2-chloro-4-[(3-methylcyclohexyl)methylamino]benzoic acid
CID 114131828
2-chloro-4-[(4-hydroxycyclohexyl)methylamino]benzoic acid
CID 106137645
3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid
CID 80517643
4-methoxy-2-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 81303992
2-chloro-5-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 62657718
2-chloro-4-[(4-cyclohexylphenyl)methylamino]benzoic acid
CID 135241315
2,3-difluoro-4-[(2-methylcyclopentyl)methylamino]benzoic acid
CID 107419155
2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine
CID 55013391
1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone
CID 107419214
2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 63830913

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid?
The IUPAC name of 2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid (CID 63511718) is 2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid is CC1CCCCC1CNc1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid?
The InChIKey is AGAAJPDXOSJXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10-4-2-3-5-11(10)9-17-12-6-7-13(15(18)19)14(16)8-12/h6-8,10-11,17H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid?
2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid has a molecular weight of 281.78 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid is sourced from PubChem (CID 63511718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).