1-(2-methoxynaphthalen-1-yl)-N-(3-methylphenyl)methanimine

C19H17NO — CID 623630

IUPAC1-(2-methoxynaphthalen-1-yl)-N-(3-methylphenyl)methanimine
SMILESCOc1ccc2ccccc2c1/C=N/c1cccc(C)c1
InChIInChI=1S/C19H17NO/c1-14-6-5-8-16(12-14)20-13-18-17-9-4-3-7-15(17)10-11-19(18)21-2/h3-13H,1-2H3/b20-13+
InChIKeyHTWPHCVBNIWIOM-DEDYPNTBSA-N
MW275.35 g/mol
LogP4.91
Rot. Bonds3

About 1-(2-methoxynaphthalen-1-yl)-N-(3-methylphenyl)methanimine

1-(2-methoxynaphthalen-1-yl)-N-(3-methylphenyl)methanimine (PubChem CID 623630) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-N-(3-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-N-(3-methylphenyl)methanimine
PubChem CID623630
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name1-(2-methoxynaphthalen-1-yl)-N-(3-methylphenyl)methanimine
SMILESCOc1ccc2ccccc2c1/C=N/c1cccc(C)c1
InChIInChI=1S/C19H17NO/c1-14-6-5-8-16(12-14)20-13-18-17-9-4-3-7-15(17)10-11-19(18)21-2/h3-13H,1-2H3/b20-13+
InChIKeyHTWPHCVBNIWIOM-DEDYPNTBSA-N
XLogP4.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.91
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-(3-methylphenyl)methanimine?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-N-(3-methylphenyl)methanimine (CID 623630) is 1-(2-methoxynaphthalen-1-yl)-N-(3-methylphenyl)methanimine.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-N-(3-methylphenyl)methanimine?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-N-(3-methylphenyl)methanimine is COc1ccc2ccccc2c1/C=N/c1cccc(C)c1.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-N-(3-methylphenyl)methanimine?
The InChIKey is HTWPHCVBNIWIOM-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H17NO/c1-14-6-5-8-16(12-14)20-13-18-17-9-4-3-7-15(17)10-11-19(18)21-2/h3-13H,1-2H3/b20-13+.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-N-(3-methylphenyl)methanimine?
1-(2-methoxynaphthalen-1-yl)-N-(3-methylphenyl)methanimine has a molecular weight of 275.35 g/mol, XLogP of 4.91, 3 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-(3-methylphenyl)methanimine is sourced from PubChem (CID 623630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).