N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine

C18H14BrN — CID 2346219

IUPACN-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine
SMILESCc1cc(/N=C/c2cccc3ccccc23)ccc1Br
InChIInChI=1S/C18H14BrN/c1-13-11-16(9-10-18(13)19)20-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-12H,1H3/b20-12+
InChIKeyZOYDYEYOGBAVAA-UDWIEESQSA-N
MW324.22 g/mol
LogP5.66
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine

N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine (PubChem CID 2346219) has the molecular formula C18H14BrN and a molecular weight of 324.22 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine
PubChem CID2346219
Molecular FormulaC18H14BrN
Molecular Weight324.22 g/mol
Exact Mass323.03
IUPAC NameN-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine
SMILESCc1cc(/N=C/c2cccc3ccccc23)ccc1Br
InChIInChI=1S/C18H14BrN/c1-13-11-16(9-10-18(13)19)20-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-12H,1H3/b20-12+
InChIKeyZOYDYEYOGBAVAA-UDWIEESQSA-N
XLogP5.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.22
LogP ≤ 55.66
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 N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine (CID 2346219) is N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine is Cc1cc(/N=C/c2cccc3ccccc23)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine?
The InChIKey is ZOYDYEYOGBAVAA-UDWIEESQSA-N. The full InChI is InChI=1S/C18H14BrN/c1-13-11-16(9-10-18(13)19)20-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-12H,1H3/b20-12+.
What are the key properties of N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine?
N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine has a molecular weight of 324.22 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine is sourced from PubChem (CID 2346219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).