N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine

C25H19Cl2NO — CID 126217246

IUPACN-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
SMILESCc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C25H19Cl2NO/c1-17-22(26)10-5-11-24(17)28-15-18-12-13-25(23(27)14-18)29-16-20-8-4-7-19-6-2-3-9-21(19)20/h2-15H,16H2,1H3/b28-15+
InChIKeyLXNVZTBZCGQUOA-RWPZCVJISA-N
MW420.34 g/mol
LogP7.78
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine

N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine (PubChem CID 126217246) has the molecular formula C25H19Cl2NO and a molecular weight of 420.34 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
PubChem CID126217246
Molecular FormulaC25H19Cl2NO
Molecular Weight420.34 g/mol
Exact Mass419.08
IUPAC NameN-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
SMILESCc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C25H19Cl2NO/c1-17-22(26)10-5-11-24(17)28-15-18-12-13-25(23(27)14-18)29-16-20-8-4-7-19-6-2-3-9-21(19)20/h2-15H,16H2,1H3/b28-15+
InChIKeyLXNVZTBZCGQUOA-RWPZCVJISA-N
XLogP7.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126219557
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126206998
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126206108
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126222826
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126217392
1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126219723
1-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126222259
N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126205495
N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide
CID 8931011
1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126217219
1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126226443
(NZ)-N-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 6242891

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine (CID 126217246) is N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine is Cc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine?
The InChIKey is LXNVZTBZCGQUOA-RWPZCVJISA-N. The full InChI is InChI=1S/C25H19Cl2NO/c1-17-22(26)10-5-11-24(17)28-15-18-12-13-25(23(27)14-18)29-16-20-8-4-7-19-6-2-3-9-21(19)20/h2-15H,16H2,1H3/b28-15+.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine?
N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine has a molecular weight of 420.34 g/mol, XLogP of 7.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine is sourced from PubChem (CID 126217246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).