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

C25H19BrClNO — CID 126219557

IUPAC1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine
SMILESCc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C25H19BrClNO/c1-17-23(27)10-5-11-24(17)28-15-18-12-13-25(22(26)14-18)29-16-20-8-4-7-19-6-2-3-9-21(19)20/h2-15H,16H2,1H3/b28-15+
InChIKeySSXNZPVMQRARBQ-RWPZCVJISA-N
MW464.79 g/mol
LogP7.89
Rot. Bonds5

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

1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine (PubChem CID 126219557) has the molecular formula C25H19BrClNO and a molecular weight of 464.79 g/mol. Its IUPAC name is 1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine
PubChem CID126219557
Molecular FormulaC25H19BrClNO
Molecular Weight464.79 g/mol
Exact Mass463.03
IUPAC Name1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine
SMILESCc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C25H19BrClNO/c1-17-23(27)10-5-11-24(17)28-15-18-12-13-25(22(26)14-18)29-16-20-8-4-7-19-6-2-3-9-21(19)20/h2-15H,16H2,1H3/b28-15+
InChIKeySSXNZPVMQRARBQ-RWPZCVJISA-N
XLogP7.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.79
LogP ≤ 57.89
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-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126217246
(NZ)-N-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 6242891
1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126219723
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126206998
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine
CID 126219344
1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126221758
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126206108
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126217392
1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126217830
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126222826
N-[(E)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126042933
N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126205495

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine?
The IUPAC name of 1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine (CID 126219557) is 1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine.
What is the SMILES notation for 1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine?
The canonical SMILES for 1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine is Cc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine?
The InChIKey is SSXNZPVMQRARBQ-RWPZCVJISA-N. The full InChI is InChI=1S/C25H19BrClNO/c1-17-23(27)10-5-11-24(17)28-15-18-12-13-25(22(26)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 1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine?
1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine has a molecular weight of 464.79 g/mol, XLogP of 7.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine is sourced from PubChem (CID 126219557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).