2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid

C16H23NO2 — CID 63537836

IUPAC2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(N(C)CC2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C16H23NO2/c1-12-8-9-15(14(10-12)16(18)19)17(2)11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyOGVAJZAQCSYCBR-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.71
Rot. Bonds4

About 2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid

2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid (PubChem CID 63537836) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid
PubChem CID63537836
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(N(C)CC2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C16H23NO2/c1-12-8-9-15(14(10-12)16(18)19)17(2)11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyOGVAJZAQCSYCBR-UHFFFAOYSA-N
XLogP3.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[methyl(oxan-4-ylmethyl)amino]benzoic acid
CID 55227035
2-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 61446190
2-[cyclopentylmethyl(methyl)amino]benzoic acid
CID 63632821
2-[cyclobutylmethyl(methyl)amino]-5-(trifluoromethyl)benzoic acid
CID 62856621
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-5-methylbenzoic acid
CID 63682509
2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid
CID 81309673
2-[cyclohexylmethyl(methyl)amino]-4-methylbenzenecarbothioamide
CID 55056927
1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
CID 82967364
2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid
CID 62514138
2-[2,2-dimethylpropyl(methyl)amino]-5-methylbenzoic acid
CID 62516741
2-[cyclohexylmethyl(methyl)amino]-4-methylbenzonitrile
CID 63512288
2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline
CID 62307441

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid (CID 63537836) is 2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid is Cc1ccc(N(C)CC2CCCCC2)c(C(=O)O)c1.
What is the InChIKey of 2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid?
The InChIKey is OGVAJZAQCSYCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-8-9-15(14(10-12)16(18)19)17(2)11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid?
2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid has a molecular weight of 261.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 63537836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).