4-amino-3-(3,5-dimethylphenyl)benzoic acid

C15H15NO2 — CID 82292985

IUPAC4-amino-3-(3,5-dimethylphenyl)benzoic acid
SMILESCc1cc(C)cc(-c2cc(C(=O)O)ccc2N)c1
InChIInChI=1S/C15H15NO2/c1-9-5-10(2)7-12(6-9)13-8-11(15(17)18)3-4-14(13)16/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyYCQIHQXDXJEBNO-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.25
Rot. Bonds2

About 4-amino-3-(3,5-dimethylphenyl)benzoic acid

4-amino-3-(3,5-dimethylphenyl)benzoic acid (PubChem CID 82292985) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-amino-3-(3,5-dimethylphenyl)benzoic acid.

Molecular Properties

Compound Name4-amino-3-(3,5-dimethylphenyl)benzoic acid
PubChem CID82292985
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-amino-3-(3,5-dimethylphenyl)benzoic acid
SMILESCc1cc(C)cc(-c2cc(C(=O)O)ccc2N)c1
InChIInChI=1S/C15H15NO2/c1-9-5-10(2)7-12(6-9)13-8-11(15(17)18)3-4-14(13)16/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyYCQIHQXDXJEBNO-UHFFFAOYSA-N
XLogP3.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(4-tert-butylphenyl)benzoic acid
CID 82305590
3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid
CID 81476712
4-amino-3-(4-ethoxyphenyl)benzoic acid
CID 82299861
3,4-diaminobenzoic acid;ethyl 3,4-diaminobenzoate
CID 159294295
4-(4-amino-3-methylphenyl)benzoic acid
CID 23005198
4-amino-3-(2-methoxyphenyl)benzoic acid
CID 82293590
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
3-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzoic acid
CID 87430681
3-(3-amino-5-carboxyphenyl)-4-fluorobenzoic acid
CID 53227396
4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid
CID 70365810
1-[4-(2,5-diaminophenyl)phenyl]ethanone
CID 18371663
4-fluoro-3-(3-methylphenyl)benzoic acid
CID 52984086

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,5-dimethylphenyl)benzoic acid?
The IUPAC name of 4-amino-3-(3,5-dimethylphenyl)benzoic acid (CID 82292985) is 4-amino-3-(3,5-dimethylphenyl)benzoic acid.
What is the SMILES notation for 4-amino-3-(3,5-dimethylphenyl)benzoic acid?
The canonical SMILES for 4-amino-3-(3,5-dimethylphenyl)benzoic acid is Cc1cc(C)cc(-c2cc(C(=O)O)ccc2N)c1.
What is the InChIKey of 4-amino-3-(3,5-dimethylphenyl)benzoic acid?
The InChIKey is YCQIHQXDXJEBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-9-5-10(2)7-12(6-9)13-8-11(15(17)18)3-4-14(13)16/h3-8H,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-3-(3,5-dimethylphenyl)benzoic acid?
4-amino-3-(3,5-dimethylphenyl)benzoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,5-dimethylphenyl)benzoic acid is sourced from PubChem (CID 82292985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).