2-[3-(4-methylanilino)phenyl]acetic acid

C15H15NO2 — CID 155290701

IUPAC2-[3-(4-methylanilino)phenyl]acetic acid
SMILESCc1ccc(Nc2cccc(CC(=O)O)c2)cc1
InChIInChI=1S/C15H15NO2/c1-11-5-7-13(8-6-11)16-14-4-2-3-12(9-14)10-15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyNQIMBNROOYATPM-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.37
Rot. Bonds4

About 2-[3-(4-methylanilino)phenyl]acetic acid

2-[3-(4-methylanilino)phenyl]acetic acid (PubChem CID 155290701) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[3-(4-methylanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methylanilino)phenyl]acetic acid
PubChem CID155290701
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-[3-(4-methylanilino)phenyl]acetic acid
SMILESCc1ccc(Nc2cccc(CC(=O)O)c2)cc1
InChIInChI=1S/C15H15NO2/c1-11-5-7-13(8-6-11)16-14-4-2-3-12(9-14)10-15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyNQIMBNROOYATPM-UHFFFAOYSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-methoxyanilino)phenyl]acetic acid
CID 155289963
2-[3-(3-hydroxyanilino)phenyl]acetic acid
CID 70009460
3-ethyl-N-(4-methylphenyl)aniline
CID 139833776
2-(3-hydrazinylphenyl)acetic acid
CID 57090948
2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid
CID 65346128
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
2-[3-(2,2-dimethylpropanoylamino)phenyl]acetic acid
CID 28759434
2-[3-[2-(methylamino)propanoylamino]phenyl]acetic acid
CID 65350474
2-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]phenyl]acetic acid
CID 119351562
3-[3-[4-(4-aminophenyl)anilino]phenyl]propanoic acid
CID 68769332
2-[3-[(4-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 65345675

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylanilino)phenyl]acetic acid?
The IUPAC name of 2-[3-(4-methylanilino)phenyl]acetic acid (CID 155290701) is 2-[3-(4-methylanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(4-methylanilino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(4-methylanilino)phenyl]acetic acid is Cc1ccc(Nc2cccc(CC(=O)O)c2)cc1.
What is the InChIKey of 2-[3-(4-methylanilino)phenyl]acetic acid?
The InChIKey is NQIMBNROOYATPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-5-7-13(8-6-11)16-14-4-2-3-12(9-14)10-15(17)18/h2-9,16H,10H2,1H3,(H,17,18).
What are the key properties of 2-[3-(4-methylanilino)phenyl]acetic acid?
2-[3-(4-methylanilino)phenyl]acetic acid has a molecular weight of 241.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylanilino)phenyl]acetic acid is sourced from PubChem (CID 155290701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).