1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine

C24H17Br2NO — CID 126223338

IUPAC1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
SMILESBrc1cc(Br)c(OCc2cccc3ccccc23)c(/C=N/c2ccccc2)c1
InChIInChI=1S/C24H17Br2NO/c25-20-13-19(15-27-21-10-2-1-3-11-21)24(23(26)14-20)28-16-18-9-6-8-17-7-4-5-12-22(17)18/h1-15H,16H2/b27-15+
InChIKeySJEQASQBVIDNMV-JFLMPSFJSA-N
MW495.21 g/mol
LogP7.69
Rot. Bonds5

About 1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine

1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine (PubChem CID 126223338) has the molecular formula C24H17Br2NO and a molecular weight of 495.21 g/mol. Its IUPAC name is 1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
PubChem CID126223338
Molecular FormulaC24H17Br2NO
Molecular Weight495.21 g/mol
Exact Mass492.97
IUPAC Name1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
SMILESBrc1cc(Br)c(OCc2cccc3ccccc23)c(/C=N/c2ccccc2)c1
InChIInChI=1S/C24H17Br2NO/c25-20-13-19(15-27-21-10-2-1-3-11-21)24(23(26)14-20)28-16-18-9-6-8-17-7-4-5-12-22(17)18/h1-15H,16H2/b27-15+
InChIKeySJEQASQBVIDNMV-JFLMPSFJSA-N
XLogP7.69
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.21
LogP ≤ 57.69
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

1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220487
1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126215516
1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine
CID 126215170
1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126208407
[2,4-dibromo-6-(phenyliminomethyl)phenyl] benzenesulfonate
CID 126216804
3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde
CID 20985669
1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126207553
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126206998
1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126209068
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine
CID 581457
1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126205449

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine?
The IUPAC name of 1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine (CID 126223338) is 1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine.
What is the SMILES notation for 1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine?
The canonical SMILES for 1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine is Brc1cc(Br)c(OCc2cccc3ccccc23)c(/C=N/c2ccccc2)c1.
What is the InChIKey of 1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine?
The InChIKey is SJEQASQBVIDNMV-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H17Br2NO/c25-20-13-19(15-27-21-10-2-1-3-11-21)24(23(26)14-20)28-16-18-9-6-8-17-7-4-5-12-22(17)18/h1-15H,16H2/b27-15+.
What are the key properties of 1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine?
1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine has a molecular weight of 495.21 g/mol, XLogP of 7.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine is sourced from PubChem (CID 126223338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).