2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid

C15H23NO3 — CID 43619666

IUPAC2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCCc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-10-15(2,14(17)18)16-11-9-12-5-7-13(19-3)8-6-12/h5-8,16H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyGOROXHNUVVXJFJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.47
Rot. Bonds8

About 2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid

2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid (PubChem CID 43619666) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
PubChem CID43619666
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCCc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-10-15(2,14(17)18)16-11-9-12-5-7-13(19-3)8-6-12/h5-8,16H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyGOROXHNUVVXJFJ-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic 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-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619594
2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 61340673
N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide
CID 166921561
2-(butan-2-ylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 61024807
2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 69301984
3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol
CID 103911966
2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65264125
2-[2-(4-methoxyphenyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116536584
2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanamide
CID 62541160
(2S)-2-amino-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 93380969
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid (CID 43619666) is 2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid is CCCC(C)(NCCc1ccc(OC)cc1)C(=O)O.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid?
The InChIKey is GOROXHNUVVXJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-10-15(2,14(17)18)16-11-9-12-5-7-13(19-3)8-6-12/h5-8,16H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid?
2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid is sourced from PubChem (CID 43619666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).