N-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine

C19H16ClNO — CID 724723

IUPACN-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine
SMILESCCOc1ccc2ccccc2c1/C=N/c1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO/c1-2-22-19-11-10-14-6-3-4-9-17(14)18(19)13-21-16-8-5-7-15(20)12-16/h3-13H,2H2,1H3/b21-13+
InChIKeyWMGAPXNEMAKLJE-FYJGNVAPSA-N
MW309.80 g/mol
LogP5.64
Rot. Bonds4

About N-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine

N-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine (PubChem CID 724723) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine
PubChem CID724723
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC NameN-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine
SMILESCCOc1ccc2ccccc2c1/C=N/c1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO/c1-2-22-19-11-10-14-6-3-4-9-17(14)18(19)13-21-16-8-5-7-15(20)12-16/h3-13H,2H2,1H3/b21-13+
InChIKeyWMGAPXNEMAKLJE-FYJGNVAPSA-N
XLogP5.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.80
LogP ≤ 55.64
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 N-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine?
The IUPAC name of N-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine (CID 724723) is N-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine.
What is the SMILES notation for N-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine?
The canonical SMILES for N-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine is CCOc1ccc2ccccc2c1/C=N/c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine?
The InChIKey is WMGAPXNEMAKLJE-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H16ClNO/c1-2-22-19-11-10-14-6-3-4-9-17(14)18(19)13-21-16-8-5-7-15(20)12-16/h3-13H,2H2,1H3/b21-13+.
What are the key properties of N-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine?
N-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine has a molecular weight of 309.80 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(2-ethoxynaphthalen-1-yl)methanimine is sourced from PubChem (CID 724723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).