2-[(2-methoxy-1-phenylethyl)amino]benzoic acid

C16H17NO3 — CID 103463586

IUPAC2-[(2-methoxy-1-phenylethyl)amino]benzoic acid
SMILESCOCC(Nc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C16H17NO3/c1-20-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16(18)19/h2-10,15,17H,11H2,1H3,(H,18,19)
InChIKeyKRARHZMMLASLMJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.18
Rot. Bonds6

About 2-[(2-methoxy-1-phenylethyl)amino]benzoic acid

2-[(2-methoxy-1-phenylethyl)amino]benzoic acid (PubChem CID 103463586) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(2-methoxy-1-phenylethyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-1-phenylethyl)amino]benzoic acid
PubChem CID103463586
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[(2-methoxy-1-phenylethyl)amino]benzoic acid
SMILESCOCC(Nc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C16H17NO3/c1-20-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16(18)19/h2-10,15,17H,11H2,1H3,(H,18,19)
InChIKeyKRARHZMMLASLMJ-UHFFFAOYSA-N
XLogP3.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methoxy-1-phenylethyl)amino]benzoic 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-[(3-methyl-1-phenylbutyl)amino]benzoic acid
CID 43322105
N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline
CID 103463701
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline
CID 103463340
2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline
CID 103463971
ethyl 2-(1-phenylpropylamino)benzoate
CID 43322187
2-(butan-2-ylamino)benzoic acid
CID 19609454
2-(pentan-3-ylamino)benzoic acid
CID 43139564
4-[(2-methoxy-1-phenylethyl)amino]butanoic acid
CID 103913559
2-(1-hydroxypropylamino)benzoic acid
CID 19907036
2-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43322114
2-[2-(2-methoxyethoxy)ethylamino]benzoic acid
CID 62230020

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-1-phenylethyl)amino]benzoic acid?
The IUPAC name of 2-[(2-methoxy-1-phenylethyl)amino]benzoic acid (CID 103463586) is 2-[(2-methoxy-1-phenylethyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-methoxy-1-phenylethyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-methoxy-1-phenylethyl)amino]benzoic acid is COCC(Nc1ccccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-methoxy-1-phenylethyl)amino]benzoic acid?
The InChIKey is KRARHZMMLASLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16(18)19/h2-10,15,17H,11H2,1H3,(H,18,19).
What are the key properties of 2-[(2-methoxy-1-phenylethyl)amino]benzoic acid?
2-[(2-methoxy-1-phenylethyl)amino]benzoic acid has a molecular weight of 271.32 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-1-phenylethyl)amino]benzoic acid is sourced from PubChem (CID 103463586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).