N-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine

C20H21NO2 — CID 871326

IUPACN-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine
SMILESCOc1cc(CNCc2cccc3ccccc23)cc(OC)c1
InChIInChI=1S/C20H21NO2/c1-22-18-10-15(11-19(12-18)23-2)13-21-14-17-8-5-7-16-6-3-4-9-20(16)17/h3-12,21H,13-14H2,1-2H3
InChIKeyXCNQBIYGAXEKQO-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.15
Rot. Bonds6

About N-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine

N-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine (PubChem CID 871326) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine
PubChem CID871326
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine
SMILESCOc1cc(CNCc2cccc3ccccc23)cc(OC)c1
InChIInChI=1S/C20H21NO2/c1-22-18-10-15(11-19(12-18)23-2)13-21-14-17-8-5-7-16-6-3-4-9-20(16)17/h3-12,21H,13-14H2,1-2H3
InChIKeyXCNQBIYGAXEKQO-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine (CID 871326) is N-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine is COc1cc(CNCc2cccc3ccccc23)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine?
The InChIKey is XCNQBIYGAXEKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-22-18-10-15(11-19(12-18)23-2)13-21-14-17-8-5-7-16-6-3-4-9-20(16)17/h3-12,21H,13-14H2,1-2H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine?
N-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine has a molecular weight of 307.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylmethanamine is sourced from PubChem (CID 871326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).