(1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine

C22H23NO — CID 135000197

IUPAC(1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine
SMILESC=CC[C@@H](NCc1ccc(OC)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H23NO/c1-3-6-22(23-16-17-9-13-21(24-2)14-10-17)20-12-11-18-7-4-5-8-19(18)15-20/h3-5,7-15,22-23H,1,6,16H2,2H3/t22-/m1/s1
InChIKeyYQBMZOOBGVRSEW-JOCHJYFZSA-N
MW317.43 g/mol
LogP5.26
Rot. Bonds7

About (1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine

(1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine (PubChem CID 135000197) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is (1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name(1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine
PubChem CID135000197
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name(1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine
SMILESC=CC[C@@H](NCc1ccc(OC)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H23NO/c1-3-6-22(23-16-17-9-13-21(24-2)14-10-17)20-12-11-18-7-4-5-8-19(18)15-20/h3-5,7-15,22-23H,1,6,16H2,2H3/t22-/m1/s1
InChIKeyYQBMZOOBGVRSEW-JOCHJYFZSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine 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

(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
CID 130367202
(1R)-N-benzyl-1-(3,4,5-trimethoxyphenyl)but-3-en-1-amine
CID 101268335
(1S)-N-benzyl-1-(4-chlorophenyl)but-3-en-1-amine
CID 2431007
1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine
CID 11471172
1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine
CID 115814062
N-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine
CID 24939019
N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
1-(6-bromonaphthalen-2-yl)-N-propylbut-3-en-1-amine
CID 115814812
benzyl N-[1-(4-methoxyphenyl)but-3-enyl]carbamate
CID 11392783
(1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol
CID 66807993
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine?
The IUPAC name of (1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine (CID 135000197) is (1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine.
What is the SMILES notation for (1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine?
The canonical SMILES for (1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine is C=CC[C@@H](NCc1ccc(OC)cc1)c1ccc2ccccc2c1.
What is the InChIKey of (1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine?
The InChIKey is YQBMZOOBGVRSEW-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23NO/c1-3-6-22(23-16-17-9-13-21(24-2)14-10-17)20-12-11-18-7-4-5-8-19(18)15-20/h3-5,7-15,22-23H,1,6,16H2,2H3/t22-/m1/s1.
What are the key properties of (1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine?
(1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine has a molecular weight of 317.43 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine is sourced from PubChem (CID 135000197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).