2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid

C18H21NO2 — CID 60993781

IUPAC2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid
SMILESCc1cccc(NC(C)(C(=O)O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H21NO2/c1-12-6-5-7-16(10-12)19-18(4,17(20)21)15-9-8-13(2)14(3)11-15/h5-11,19H,1-4H3,(H,20,21)
InChIKeyAFTDQWHXPUTTAR-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.02
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid

2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid (PubChem CID 60993781) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid
PubChem CID60993781
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid
SMILESCc1cccc(NC(C)(C(=O)O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H21NO2/c1-12-6-5-7-16(10-12)19-18(4,17(20)21)15-9-8-13(2)14(3)11-15/h5-11,19H,1-4H3,(H,20,21)
InChIKeyAFTDQWHXPUTTAR-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
CID 60993850
2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid
CID 60994633
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
methyl 2-(4-chlorophenyl)-2-(3-methylanilino)propanoate
CID 60993351
2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide
CID 60996874
methyl 2-(4-bromophenyl)-2-(3-methylanilino)propanoate
CID 60994076
2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 60994028
2-acetamido-2-(3,4-dimethylphenyl)propanoic acid
CID 63705027
2-anilino-2-(4-bromophenyl)propanoic acid
CID 60990809
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
2-(3-methylanilino)-2-(4-methylphenyl)butanoic acid
CID 60993922
2-(3-bromophenyl)-2-(3-fluoro-5-methylanilino)propanoic acid
CID 79044474

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid (CID 60993781) is 2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid is Cc1cccc(NC(C)(C(=O)O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid?
The InChIKey is AFTDQWHXPUTTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-6-5-7-16(10-12)19-18(4,17(20)21)15-9-8-13(2)14(3)11-15/h5-11,19H,1-4H3,(H,20,21).
What are the key properties of 2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid?
2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid is sourced from PubChem (CID 60993781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).