3-(cyclohexylamino)-2-methylbenzoic acid

C14H19NO2 — CID 43737301

IUPAC3-(cyclohexylamino)-2-methylbenzoic acid
SMILESCc1c(NC2CCCCC2)cccc1C(=O)O
InChIInChI=1S/C14H19NO2/c1-10-12(14(16)17)8-5-9-13(10)15-11-6-3-2-4-7-11/h5,8-9,11,15H,2-4,6-7H2,1H3,(H,16,17)
InChIKeyKCKVINXJDVDIEY-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.44
Rot. Bonds3

About 3-(cyclohexylamino)-2-methylbenzoic acid

3-(cyclohexylamino)-2-methylbenzoic acid (PubChem CID 43737301) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(cyclohexylamino)-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(cyclohexylamino)-2-methylbenzoic acid
PubChem CID43737301
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(cyclohexylamino)-2-methylbenzoic acid
SMILESCc1c(NC2CCCCC2)cccc1C(=O)O
InChIInChI=1S/C14H19NO2/c1-10-12(14(16)17)8-5-9-13(10)15-11-6-3-2-4-7-11/h5,8-9,11,15H,2-4,6-7H2,1H3,(H,16,17)
InChIKeyKCKVINXJDVDIEY-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-ethylcyclohexyl)amino]-2-methylbenzoic acid
CID 43737246
2-methyl-3-[(4-propylcycloheptyl)amino]benzoic acid
CID 65086676
3-(cyclohexylcarbamothioylamino)-2-methylbenzoic acid
CID 91687016
2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzoic acid
CID 43737247
2-(cyclooctylamino)-3-methylbenzoic acid
CID 107111851
2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043898
3-(cyclohexylamino)-2-nitrobenzoic acid
CID 113332017
5-[2-(cyclohexylamino)phenyl]-2-methylbenzene-1,3-dicarboxylic acid
CID 150554381
2-(cyclooctylamino)-4-methylbenzoic acid
CID 63512183
cyclohexanol;2-methylbenzene-1,3-dicarboxylic acid
CID 174867146
methyl 2-amino-3-(cyclooctylamino)benzoate
CID 115544352
N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 43734523

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-2-methylbenzoic acid?
The IUPAC name of 3-(cyclohexylamino)-2-methylbenzoic acid (CID 43737301) is 3-(cyclohexylamino)-2-methylbenzoic acid.
What is the SMILES notation for 3-(cyclohexylamino)-2-methylbenzoic acid?
The canonical SMILES for 3-(cyclohexylamino)-2-methylbenzoic acid is Cc1c(NC2CCCCC2)cccc1C(=O)O.
What is the InChIKey of 3-(cyclohexylamino)-2-methylbenzoic acid?
The InChIKey is KCKVINXJDVDIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-12(14(16)17)8-5-9-13(10)15-11-6-3-2-4-7-11/h5,8-9,11,15H,2-4,6-7H2,1H3,(H,16,17).
What are the key properties of 3-(cyclohexylamino)-2-methylbenzoic acid?
3-(cyclohexylamino)-2-methylbenzoic acid has a molecular weight of 233.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-2-methylbenzoic acid is sourced from PubChem (CID 43737301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).