4-[methyl-(3-methylcyclohexyl)amino]benzoic acid

C15H21NO2 — CID 61446292

IUPAC4-[methyl-(3-methylcyclohexyl)amino]benzoic acid
SMILESCC1CCCC(N(C)c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C15H21NO2/c1-11-4-3-5-14(10-11)16(2)13-8-6-12(7-9-13)15(17)18/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyUKMCKPJOCJKWQF-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.40
Rot. Bonds3

About 4-[methyl-(3-methylcyclohexyl)amino]benzoic acid

4-[methyl-(3-methylcyclohexyl)amino]benzoic acid (PubChem CID 61446292) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[methyl-(3-methylcyclohexyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[methyl-(3-methylcyclohexyl)amino]benzoic acid
PubChem CID61446292
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-[methyl-(3-methylcyclohexyl)amino]benzoic acid
SMILESCC1CCCC(N(C)c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C15H21NO2/c1-11-4-3-5-14(10-11)16(2)13-8-6-12(7-9-13)15(17)18/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyUKMCKPJOCJKWQF-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 61446172
3-[methyl-(3-methylcyclohexyl)carbamoyl]benzoic acid
CID 61447304
4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 107081489
5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 81440147
6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 55053323
2,3-difluoro-4-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 107935646
1,4-dimethylcyclohexane;terephthalic acid
CID 66647934
4-[(1,1-dioxothiolan-3-yl)-methylamino]benzoic acid
CID 43648875
2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 61446336
5-bromo-2-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 114895667
2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone
CID 61446014
N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63551559

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(3-methylcyclohexyl)amino]benzoic acid?
The IUPAC name of 4-[methyl-(3-methylcyclohexyl)amino]benzoic acid (CID 61446292) is 4-[methyl-(3-methylcyclohexyl)amino]benzoic acid.
What is the SMILES notation for 4-[methyl-(3-methylcyclohexyl)amino]benzoic acid?
The canonical SMILES for 4-[methyl-(3-methylcyclohexyl)amino]benzoic acid is CC1CCCC(N(C)c2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-[methyl-(3-methylcyclohexyl)amino]benzoic acid?
The InChIKey is UKMCKPJOCJKWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-4-3-5-14(10-11)16(2)13-8-6-12(7-9-13)15(17)18/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,18).
What are the key properties of 4-[methyl-(3-methylcyclohexyl)amino]benzoic acid?
4-[methyl-(3-methylcyclohexyl)amino]benzoic acid has a molecular weight of 247.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(3-methylcyclohexyl)amino]benzoic acid is sourced from PubChem (CID 61446292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).