1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine

C17H12BrN — CID 720056

IUPAC1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine
SMILESBrc1ccc(/C=N/c2cccc3ccccc23)cc1
InChIInChI=1S/C17H12BrN/c18-15-10-8-13(9-11-15)12-19-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H/b19-12+
InChIKeyZKTOXVZLKHNPHC-XDHOZWIPSA-N
MW310.19 g/mol
LogP5.35
Rot. Bonds2

About 1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine

1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine (PubChem CID 720056) has the molecular formula C17H12BrN and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine
PubChem CID720056
Molecular FormulaC17H12BrN
Molecular Weight310.19 g/mol
Exact Mass309.02
IUPAC Name1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine
SMILESBrc1ccc(/C=N/c2cccc3ccccc23)cc1
InChIInChI=1S/C17H12BrN/c18-15-10-8-13(9-11-15)12-19-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H/b19-12+
InChIKeyZKTOXVZLKHNPHC-XDHOZWIPSA-N
XLogP5.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.19
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine?
The IUPAC name of 1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine (CID 720056) is 1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine is Brc1ccc(/C=N/c2cccc3ccccc23)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine?
The InChIKey is ZKTOXVZLKHNPHC-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H12BrN/c18-15-10-8-13(9-11-15)12-19-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H/b19-12+.
What are the key properties of 1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine?
1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine has a molecular weight of 310.19 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-naphthalen-1-ylmethanimine is sourced from PubChem (CID 720056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).