2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid

C17H19NO2 — CID 103234862

IUPAC2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid
SMILESCc1ccc(NCc2ccc(C(C)C(=O)O)cc2)cc1
InChIInChI=1S/C17H19NO2/c1-12-3-9-16(10-4-12)18-11-14-5-7-15(8-6-14)13(2)17(19)20/h3-10,13,18H,11H2,1-2H3,(H,19,20)
InChIKeyPOLNSVUGGALTHS-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.80
Rot. Bonds5

About 2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid

2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid (PubChem CID 103234862) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid
PubChem CID103234862
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid
SMILESCc1ccc(NCc2ccc(C(C)C(=O)O)cc2)cc1
InChIInChI=1S/C17H19NO2/c1-12-3-9-16(10-4-12)18-11-14-5-7-15(8-6-14)13(2)17(19)20/h3-10,13,18H,11H2,1-2H3,(H,19,20)
InChIKeyPOLNSVUGGALTHS-UHFFFAOYSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-bromoanilino)methyl]phenyl]propanoic acid
CID 103234443
2-[4-[(3,5-dimethylanilino)methyl]phenyl]propanoic acid
CID 103235711
2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid
CID 103234523
2-[4-[(4-methylsulfanylanilino)methyl]phenyl]propanoic acid
CID 103232548
2-[4-[(3-fluoro-4-methylanilino)methyl]phenyl]propanoic acid
CID 103235860
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
3-[4-(benzylamino)phenyl]-2-methylpropanoic acid
CID 54156603
N-methyl-2-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 43713951
2-[4-[(3-hydroxypropylamino)methyl]phenyl]propanoic acid
CID 103238223
2-[4-[(2-bromoanilino)methyl]phenyl]propanoic acid
CID 103234406
2-[4-[[(4-bromophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234963
2-[4-[[(4-fluorophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234637

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid (CID 103234862) is 2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid is Cc1ccc(NCc2ccc(C(C)C(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid?
The InChIKey is POLNSVUGGALTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-3-9-16(10-4-12)18-11-14-5-7-15(8-6-14)13(2)17(19)20/h3-10,13,18H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid?
2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid is sourced from PubChem (CID 103234862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).