1-(3-bromophenyl)-N-naphthalen-1-ylmethanimine

C17H12BrN — CID 831077

IUPAC1-(3-bromophenyl)-N-naphthalen-1-ylmethanimine
SMILESBrc1cccc(/C=N/c2cccc3ccccc23)c1
InChIInChI=1S/C17H12BrN/c18-15-8-3-5-13(11-15)12-19-17-10-4-7-14-6-1-2-9-16(14)17/h1-12H/b19-12+
InChIKeyVHWRINQXVDRSES-XDHOZWIPSA-N
MW310.19 g/mol
LogP5.35
Rot. Bonds2

About 1-(3-bromophenyl)-N-naphthalen-1-ylmethanimine

1-(3-bromophenyl)-N-naphthalen-1-ylmethanimine (PubChem CID 831077) has the molecular formula C17H12BrN and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-naphthalen-1-ylmethanimine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-naphthalen-1-ylmethanimine
PubChem CID831077
Molecular FormulaC17H12BrN
Molecular Weight310.19 g/mol
Exact Mass309.02
IUPAC Name1-(3-bromophenyl)-N-naphthalen-1-ylmethanimine
SMILESBrc1cccc(/C=N/c2cccc3ccccc23)c1
InChIInChI=1S/C17H12BrN/c18-15-8-3-5-13(11-15)12-19-17-10-4-7-14-6-1-2-9-16(14)17/h1-12H/b19-12+
InChIKeyVHWRINQXVDRSES-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-(3-bromophenyl)-N-naphthalen-1-ylmethanimine?
The IUPAC name of 1-(3-bromophenyl)-N-naphthalen-1-ylmethanimine (CID 831077) is 1-(3-bromophenyl)-N-naphthalen-1-ylmethanimine.
What is the SMILES notation for 1-(3-bromophenyl)-N-naphthalen-1-ylmethanimine?
The canonical SMILES for 1-(3-bromophenyl)-N-naphthalen-1-ylmethanimine is Brc1cccc(/C=N/c2cccc3ccccc23)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-naphthalen-1-ylmethanimine?
The InChIKey is VHWRINQXVDRSES-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H12BrN/c18-15-8-3-5-13(11-15)12-19-17-10-4-7-14-6-1-2-9-16(14)17/h1-12H/b19-12+.
What are the key properties of 1-(3-bromophenyl)-N-naphthalen-1-ylmethanimine?
1-(3-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-(3-bromophenyl)-N-naphthalen-1-ylmethanimine is sourced from PubChem (CID 831077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).