1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine

C20H19NO — CID 2185230

IUPAC1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine
SMILESCOc1ccc2ccccc2c1/C=N/CCc1ccccc1
InChIInChI=1S/C20H19NO/c1-22-20-12-11-17-9-5-6-10-18(17)19(20)15-21-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3/b21-15+
InChIKeyURUFUHNRAAGMNZ-RCCKNPSSSA-N
MW289.38 g/mol
LogP4.51
Rot. Bonds5

About 1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine

1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine (PubChem CID 2185230) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine
PubChem CID2185230
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine
SMILESCOc1ccc2ccccc2c1/C=N/CCc1ccccc1
InChIInChI=1S/C20H19NO/c1-22-20-12-11-17-9-5-6-10-18(17)19(20)15-21-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3/b21-15+
InChIKeyURUFUHNRAAGMNZ-RCCKNPSSSA-N
XLogP4.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine (CID 2185230) is 1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine is COc1ccc2ccccc2c1/C=N/CCc1ccccc1.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine?
The InChIKey is URUFUHNRAAGMNZ-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H19NO/c1-22-20-12-11-17-9-5-6-10-18(17)19(20)15-21-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3/b21-15+.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine?
1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine has a molecular weight of 289.38 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-N-(2-phenylethyl)methanimine is sourced from PubChem (CID 2185230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).