1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine

C24H18BrNO — CID 126208478

IUPAC1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine
SMILESBrc1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1
InChIInChI=1S/C24H18BrNO/c25-20-13-10-18(11-14-20)17-27-24-15-12-19-6-4-5-9-22(19)23(24)16-26-21-7-2-1-3-8-21/h1-16H,17H2/b26-16+
InChIKeyQVSBLXSPFIOJEZ-WGOQTCKBSA-N
MW416.32 g/mol
LogP6.93
Rot. Bonds5

About 1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine

1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine (PubChem CID 126208478) has the molecular formula C24H18BrNO and a molecular weight of 416.32 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine
PubChem CID126208478
Molecular FormulaC24H18BrNO
Molecular Weight416.32 g/mol
Exact Mass415.06
IUPAC Name1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine
SMILESBrc1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1
InChIInChI=1S/C24H18BrNO/c25-20-13-10-18(11-14-20)17-27-24-15-12-19-6-4-5-9-22(19)23(24)16-26-21-7-2-1-3-8-21/h1-16H,17H2/b26-16+
InChIKeyQVSBLXSPFIOJEZ-WGOQTCKBSA-N
XLogP6.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.32
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-[(4-bromophenyl)methoxy]naphthalen-1-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

Related Compounds

N-(4-bromophenyl)-1-(2-phenylmethoxynaphthalen-1-yl)methanimine
CID 4779325
1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine
CID 126215170
N-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine
CID 3729495
1-(2-ethoxynaphthalen-1-yl)-N-(4-ethylphenyl)methanimine
CID 3549672
N-[(2-phenylmethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 807879
N-[(E)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
CID 19061174
2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061640
2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061644
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine
CID 126215977
2-(4-bromoanilino)-N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126355675
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126217743
1-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 5240858

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine?
The IUPAC name of 1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine (CID 126208478) is 1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine.
What is the SMILES notation for 1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine?
The canonical SMILES for 1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine is Brc1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1.
What is the InChIKey of 1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine?
The InChIKey is QVSBLXSPFIOJEZ-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H18BrNO/c25-20-13-10-18(11-14-20)17-27-24-15-12-19-6-4-5-9-22(19)23(24)16-26-21-7-2-1-3-8-21/h1-16H,17H2/b26-16+.
What are the key properties of 1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine?
1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine has a molecular weight of 416.32 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine is sourced from PubChem (CID 126208478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).