2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid

C17H19NO3 — CID 62110663

IUPAC2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid
SMILESCc1ccc(C(C)NC(C(=O)O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H19NO3/c1-11-8-9-14(15(19)10-11)12(2)18-16(17(20)21)13-6-4-3-5-7-13/h3-10,12,16,18-19H,1-2H3,(H,20,21)
InChIKeyAMPSYWJGUVEZHJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.18
Rot. Bonds5

About 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid

2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid (PubChem CID 62110663) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid
PubChem CID62110663
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid
SMILESCc1ccc(C(C)NC(C(=O)O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H19NO3/c1-11-8-9-14(15(19)10-11)12(2)18-16(17(20)21)13-6-4-3-5-7-13/h3-10,12,16,18-19H,1-2H3,(H,20,21)
InChIKeyAMPSYWJGUVEZHJ-UHFFFAOYSA-N
XLogP3.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]ethyl]-5-methylphenol
CID 104582502
2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid
CID 82775621
methyl 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanoate
CID 60780541
2-[1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]ethyl]-5-methylphenol
CID 81377013
2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol
CID 43202107
2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid
CID 43135042
methyl (2S)-2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-3-methylbutanoate
CID 43452085
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methylphenol
CID 104582413
2-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-5-methylphenol
CID 81354100
2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid
CID 103258955
2-[1-[(1-hydroxy-3-methylbutan-2-yl)amino]ethyl]-5-methylphenol
CID 79253947
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid
CID 103257236

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid?
The IUPAC name of 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid (CID 62110663) is 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid is Cc1ccc(C(C)NC(C(=O)O)c2ccccc2)c(O)c1.
What is the InChIKey of 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid?
The InChIKey is AMPSYWJGUVEZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-8-9-14(15(19)10-11)12(2)18-16(17(20)21)13-6-4-3-5-7-13/h3-10,12,16,18-19H,1-2H3,(H,20,21).
What are the key properties of 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid?
2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid has a molecular weight of 285.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid is sourced from PubChem (CID 62110663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).