N-(3-bromophenyl)-1,1-diphenylmethanimine

C19H14BrN — CID 87711164

IUPACN-(3-bromophenyl)-1,1-diphenylmethanimine
SMILESBrc1cccc(N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H14BrN/c20-17-12-7-13-18(14-17)21-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14H
InChIKeyPSMJOXYIIMQESA-UHFFFAOYSA-N
MW336.23 g/mol
LogP5.62
Rot. Bonds3

About N-(3-bromophenyl)-1,1-diphenylmethanimine

N-(3-bromophenyl)-1,1-diphenylmethanimine (PubChem CID 87711164) has the molecular formula C19H14BrN and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1,1-diphenylmethanimine
PubChem CID87711164
Molecular FormulaC19H14BrN
Molecular Weight336.23 g/mol
Exact Mass335.03
IUPAC NameN-(3-bromophenyl)-1,1-diphenylmethanimine
SMILESBrc1cccc(N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H14BrN/c20-17-12-7-13-18(14-17)21-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14H
InChIKeyPSMJOXYIIMQESA-UHFFFAOYSA-N
XLogP5.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.23
LogP ≤ 55.62
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-(3-bromophenyl)-1,1-diphenylmethanimine?
The IUPAC name of N-(3-bromophenyl)-1,1-diphenylmethanimine (CID 87711164) is N-(3-bromophenyl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(3-bromophenyl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(3-bromophenyl)-1,1-diphenylmethanimine is Brc1cccc(N=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(3-bromophenyl)-1,1-diphenylmethanimine?
The InChIKey is PSMJOXYIIMQESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN/c20-17-12-7-13-18(14-17)21-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14H.
What are the key properties of N-(3-bromophenyl)-1,1-diphenylmethanimine?
N-(3-bromophenyl)-1,1-diphenylmethanimine has a molecular weight of 336.23 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1,1-diphenylmethanimine is sourced from PubChem (CID 87711164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).