2-[3-(dimethylamino)phenyl]benzoic acid

C15H15NO2 — CID 39226074

IUPAC2-[3-(dimethylamino)phenyl]benzoic acid
SMILESCN(C)c1cccc(-c2ccccc2C(=O)O)c1
InChIInChI=1S/C15H15NO2/c1-16(2)12-7-5-6-11(10-12)13-8-3-4-9-14(13)15(17)18/h3-10H,1-2H3,(H,17,18)
InChIKeyKZGPUSAULLHVSU-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.12
Rot. Bonds3

About 2-[3-(dimethylamino)phenyl]benzoic acid

2-[3-(dimethylamino)phenyl]benzoic acid (PubChem CID 39226074) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenyl]benzoic acid
PubChem CID39226074
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-[3-(dimethylamino)phenyl]benzoic acid
SMILESCN(C)c1cccc(-c2ccccc2C(=O)O)c1
InChIInChI=1S/C15H15NO2/c1-16(2)12-7-5-6-11(10-12)13-8-3-4-9-14(13)15(17)18/h3-10H,1-2H3,(H,17,18)
InChIKeyKZGPUSAULLHVSU-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid
CID 39218620
2-(3-acetylphenyl)benzoic acid
CID 2756265
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 39226104
2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide
CID 25190923
acetylene;2-phenylbenzoic acid
CID 67726329
3-(2-fluorophenyl)-N,N-dimethylaniline
CID 173224461
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
2-[3,4-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 154122846
3-(2-tert-butylphenyl)-N,N-dimethylaniline
CID 170187811
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 53218447

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenyl]benzoic acid?
The IUPAC name of 2-[3-(dimethylamino)phenyl]benzoic acid (CID 39226074) is 2-[3-(dimethylamino)phenyl]benzoic acid.
What is the SMILES notation for 2-[3-(dimethylamino)phenyl]benzoic acid?
The canonical SMILES for 2-[3-(dimethylamino)phenyl]benzoic acid is CN(C)c1cccc(-c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[3-(dimethylamino)phenyl]benzoic acid?
The InChIKey is KZGPUSAULLHVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-16(2)12-7-5-6-11(10-12)13-8-3-4-9-14(13)15(17)18/h3-10H,1-2H3,(H,17,18).
What are the key properties of 2-[3-(dimethylamino)phenyl]benzoic acid?
2-[3-(dimethylamino)phenyl]benzoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenyl]benzoic acid is sourced from PubChem (CID 39226074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).