2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid

C21H21NO3 — CID 66527244

IUPAC2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid
SMILESCC(NCc1c(OCc2ccccc2)ccc2ccccc12)C(=O)O
InChIInChI=1S/C21H21NO3/c1-15(21(23)24)22-13-19-18-10-6-5-9-17(18)11-12-20(19)25-14-16-7-3-2-4-8-16/h2-12,15,22H,13-14H2,1H3,(H,23,24)
InChIKeyAJVNTHRICNRZRX-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.98
Rot. Bonds7

About 2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid

2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid (PubChem CID 66527244) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid
PubChem CID66527244
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid
SMILESCC(NCc1c(OCc2ccccc2)ccc2ccccc12)C(=O)O
InChIInChI=1S/C21H21NO3/c1-15(21(23)24)22-13-19-18-10-6-5-9-17(18)11-12-20(19)25-14-16-7-3-2-4-8-16/h2-12,15,22H,13-14H2,1H3,(H,23,24)
InChIKeyAJVNTHRICNRZRX-UHFFFAOYSA-N
XLogP3.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic 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

N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277
(2S)-3-(1H-indol-3-yl)-2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 51987484
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 17054825
3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride
CID 17210424
methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate
CID 60780634
4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid
CID 66528178
(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
CID 95003342
(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 29186721
2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid
CID 66527086
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054851

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid?
The IUPAC name of 2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid (CID 66527244) is 2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid?
The canonical SMILES for 2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid is CC(NCc1c(OCc2ccccc2)ccc2ccccc12)C(=O)O.
What is the InChIKey of 2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid?
The InChIKey is AJVNTHRICNRZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-15(21(23)24)22-13-19-18-10-6-5-9-17(18)11-12-20(19)25-14-16-7-3-2-4-8-16/h2-12,15,22H,13-14H2,1H3,(H,23,24).
What are the key properties of 2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid?
2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid has a molecular weight of 335.40 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid is sourced from PubChem (CID 66527244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).