2-methyl-3-(methylamino)-6-phenylbenzoic acid

C15H15NO2 — CID 69191389

IUPAC2-methyl-3-(methylamino)-6-phenylbenzoic acid
SMILESCNc1ccc(-c2ccccc2)c(C(=O)O)c1C
InChIInChI=1S/C15H15NO2/c1-10-13(16-2)9-8-12(14(10)15(17)18)11-6-4-3-5-7-11/h3-9,16H,1-2H3,(H,17,18)
InChIKeyCORKFDMVBBIZJS-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.40
Rot. Bonds3

About 2-methyl-3-(methylamino)-6-phenylbenzoic acid

2-methyl-3-(methylamino)-6-phenylbenzoic acid (PubChem CID 69191389) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-6-phenylbenzoic acid.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-6-phenylbenzoic acid
PubChem CID69191389
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-methyl-3-(methylamino)-6-phenylbenzoic acid
SMILESCNc1ccc(-c2ccccc2)c(C(=O)O)c1C
InChIInChI=1S/C15H15NO2/c1-10-13(16-2)9-8-12(14(10)15(17)18)11-6-4-3-5-7-11/h3-9,16H,1-2H3,(H,17,18)
InChIKeyCORKFDMVBBIZJS-UHFFFAOYSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-phenylbenzene-1,3-dicarboxylic acid;propan-2-one
CID 157214158
2,6-dimethyl-3,5-bis(methylamino)benzoic acid
CID 87451641
2,3-dimethylazulene-1-carboxylic acid
CID 54352550
3-bromo-6-(4-bromophenyl)-2-methylbenzoic acid
CID 142745491
5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid
CID 175443870
methyl 2,6-dimethyl-3-phenylbenzoate
CID 13216678
2-methyl-3,4-diphenylbenzoic acid
CID 118554966
1-(2,3-dihydroxy-6-phenylphenyl)ethanone
CID 173305847
1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one
CID 59120469
2-benzoyl-6-phenylbenzoic acid
CID 174388121
5-bromo-N-methyl-2-phenylaniline
CID 69363671
2,3-dianilino-5,6-dimethylterephthalic acid
CID 19027235

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-6-phenylbenzoic acid?
The IUPAC name of 2-methyl-3-(methylamino)-6-phenylbenzoic acid (CID 69191389) is 2-methyl-3-(methylamino)-6-phenylbenzoic acid.
What is the SMILES notation for 2-methyl-3-(methylamino)-6-phenylbenzoic acid?
The canonical SMILES for 2-methyl-3-(methylamino)-6-phenylbenzoic acid is CNc1ccc(-c2ccccc2)c(C(=O)O)c1C.
What is the InChIKey of 2-methyl-3-(methylamino)-6-phenylbenzoic acid?
The InChIKey is CORKFDMVBBIZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-13(16-2)9-8-12(14(10)15(17)18)11-6-4-3-5-7-11/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 2-methyl-3-(methylamino)-6-phenylbenzoic acid?
2-methyl-3-(methylamino)-6-phenylbenzoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-6-phenylbenzoic acid is sourced from PubChem (CID 69191389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).