1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine

C11H12BrN — CID 155686060

IUPAC1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine
SMILESBrc1ccc(/C=N/CC2CC2)cc1
InChIInChI=1S/C11H12BrN/c12-11-5-3-10(4-6-11)8-13-7-9-1-2-9/h3-6,8-9H,1-2,7H2/b13-8+
InChIKeyQMLZVXRPKHONBA-MDWZMJQESA-N
MW238.13 g/mol
LogP3.28
Rot. Bonds3

About 1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine

1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine (PubChem CID 155686060) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine
PubChem CID155686060
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine
SMILESBrc1ccc(/C=N/CC2CC2)cc1
InChIInChI=1S/C11H12BrN/c12-11-5-3-10(4-6-11)8-13-7-9-1-2-9/h3-6,8-9H,1-2,7H2/b13-8+
InChIKeyQMLZVXRPKHONBA-MDWZMJQESA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.28
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-(cyclopropylmethyl)methanimine?
The IUPAC name of 1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine (CID 155686060) is 1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine is Brc1ccc(/C=N/CC2CC2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine?
The InChIKey is QMLZVXRPKHONBA-MDWZMJQESA-N. The full InChI is InChI=1S/C11H12BrN/c12-11-5-3-10(4-6-11)8-13-7-9-1-2-9/h3-6,8-9H,1-2,7H2/b13-8+.
What are the key properties of 1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine?
1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine has a molecular weight of 238.13 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine is sourced from PubChem (CID 155686060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).