N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine

C25H19Cl2NO — CID 126210028

IUPACN-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine
SMILESCc1ccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1Cl
InChIInChI=1S/C25H19Cl2NO/c1-17-10-12-20(14-24(17)27)28-15-22-21-8-4-2-6-18(21)11-13-25(22)29-16-19-7-3-5-9-23(19)26/h2-15H,16H2,1H3/b28-15+
InChIKeyYDDRMQPYAMWYMR-RWPZCVJISA-N
MW420.34 g/mol
LogP7.78
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine

N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine (PubChem CID 126210028) has the molecular formula C25H19Cl2NO and a molecular weight of 420.34 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine
PubChem CID126210028
Molecular FormulaC25H19Cl2NO
Molecular Weight420.34 g/mol
Exact Mass419.08
IUPAC NameN-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine
SMILESCc1ccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1Cl
InChIInChI=1S/C25H19Cl2NO/c1-17-10-12-20(14-24(17)27)28-15-22-21-8-4-2-6-18(21)11-13-25(22)29-16-19-7-3-5-9-23(19)26/h2-15H,16H2,1H3/b28-15+
InChIKeyYDDRMQPYAMWYMR-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'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126223343
N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126218669
N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetamide
CID 126214851
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine
CID 126215977
1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine
CID 126215170
N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine
CID 126225989
1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-ethylthiourea
CID 3548959
(NE)-N-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylidene]hydroxylamine
CID 42312904
N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148458
N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide
CID 126215966
[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea
CID 94844311
N-(3-chloro-4-methylphenyl)-2-[1-[(4-ethylphenyl)iminomethyl]naphthalen-2-yl]oxyacetamide
CID 126217069

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine (CID 126210028) is N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine is Cc1ccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine?
The InChIKey is YDDRMQPYAMWYMR-RWPZCVJISA-N. The full InChI is InChI=1S/C25H19Cl2NO/c1-17-10-12-20(14-24(17)27)28-15-22-21-8-4-2-6-18(21)11-13-25(22)29-16-19-7-3-5-9-23(19)26/h2-15H,16H2,1H3/b28-15+.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine?
N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]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-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine is sourced from PubChem (CID 126210028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).