1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine

C17H12ClN — CID 12560705

IUPAC1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine
SMILESClc1cc2ccccc2cc1/C=N/c1ccccc1
InChIInChI=1S/C17H12ClN/c18-17-11-14-7-5-4-6-13(14)10-15(17)12-19-16-8-2-1-3-9-16/h1-12H/b19-12+
InChIKeyXBMYCAMPCRLGFS-XDHOZWIPSA-N
MW265.74 g/mol
LogP5.24
Rot. Bonds2

About 1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine

1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine (PubChem CID 12560705) has the molecular formula C17H12ClN and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine
PubChem CID12560705
Molecular FormulaC17H12ClN
Molecular Weight265.74 g/mol
Exact Mass265.07
IUPAC Name1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine
SMILESClc1cc2ccccc2cc1/C=N/c1ccccc1
InChIInChI=1S/C17H12ClN/c18-17-11-14-7-5-4-6-13(14)10-15(17)12-19-16-8-2-1-3-9-16/h1-12H/b19-12+
InChIKeyXBMYCAMPCRLGFS-XDHOZWIPSA-N
XLogP5.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.74
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine 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 1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine?
The IUPAC name of 1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine (CID 12560705) is 1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine.
What is the SMILES notation for 1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine?
The canonical SMILES for 1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine is Clc1cc2ccccc2cc1/C=N/c1ccccc1.
What is the InChIKey of 1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine?
The InChIKey is XBMYCAMPCRLGFS-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H12ClN/c18-17-11-14-7-5-4-6-13(14)10-15(17)12-19-16-8-2-1-3-9-16/h1-12H/b19-12+.
What are the key properties of 1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine?
1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine has a molecular weight of 265.74 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloronaphthalen-2-yl)-N-phenylmethanimine is sourced from PubChem (CID 12560705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).