2-[cyclohexylmethyl(methyl)amino]benzoic acid

C15H21NO2 — CID 61446190

IUPAC2-[cyclohexylmethyl(methyl)amino]benzoic acid
SMILESCN(CC1CCCCC1)c1ccccc1C(=O)O
InChIInChI=1S/C15H21NO2/c1-16(11-12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(17)18/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,18)
InChIKeyXDFFUOBCEBROBU-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.40
Rot. Bonds4

About 2-[cyclohexylmethyl(methyl)amino]benzoic acid

2-[cyclohexylmethyl(methyl)amino]benzoic acid (PubChem CID 61446190) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[cyclohexylmethyl(methyl)amino]benzoic acid
PubChem CID61446190
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[cyclohexylmethyl(methyl)amino]benzoic acid
SMILESCN(CC1CCCCC1)c1ccccc1C(=O)O
InChIInChI=1S/C15H21NO2/c1-16(11-12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(17)18/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,18)
InChIKeyXDFFUOBCEBROBU-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-[cyclopentylmethyl(methyl)amino]benzoic acid
CID 63632821
2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid
CID 63537836
2-[cyclohexylmethyl(methyl)amino]benzenecarbothioamide
CID 54948078
2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid
CID 81309673
1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone
CID 63711871
(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
CID 78940236
2-[cyclobutylmethyl(methyl)amino]-5-(trifluoromethyl)benzoic acid
CID 62856621
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]ethanone
CID 63711171
1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678870
2-amino-4-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 113419748
1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
CID 82967364
2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid
CID 55250037

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(methyl)amino]benzoic acid?
The IUPAC name of 2-[cyclohexylmethyl(methyl)amino]benzoic acid (CID 61446190) is 2-[cyclohexylmethyl(methyl)amino]benzoic acid.
What is the SMILES notation for 2-[cyclohexylmethyl(methyl)amino]benzoic acid?
The canonical SMILES for 2-[cyclohexylmethyl(methyl)amino]benzoic acid is CN(CC1CCCCC1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[cyclohexylmethyl(methyl)amino]benzoic acid?
The InChIKey is XDFFUOBCEBROBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16(11-12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(17)18/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,18).
What are the key properties of 2-[cyclohexylmethyl(methyl)amino]benzoic acid?
2-[cyclohexylmethyl(methyl)amino]benzoic acid has a molecular weight of 247.34 g/mol, XLogP of 3.40, 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]benzoic acid is sourced from PubChem (CID 61446190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).