1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine

C15H14BrNO — CID 87106056

IUPAC1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine
SMILESCON=C(c1ccccc1)c1cccc(CBr)c1
InChIInChI=1S/C15H14BrNO/c1-18-17-15(13-7-3-2-4-8-13)14-9-5-6-12(10-14)11-16/h2-10H,11H2,1H3
InChIKeyXIZYCPUTJVLELI-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.98
Rot. Bonds4

About 1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine

1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine (PubChem CID 87106056) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine.

Molecular Properties

Compound Name1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine
PubChem CID87106056
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine
SMILESCON=C(c1ccccc1)c1cccc(CBr)c1
InChIInChI=1S/C15H14BrNO/c1-18-17-15(13-7-3-2-4-8-13)14-9-5-6-12(10-14)11-16/h2-10H,11H2,1H3
InChIKeyXIZYCPUTJVLELI-UHFFFAOYSA-N
XLogP3.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine?
The IUPAC name of 1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine (CID 87106056) is 1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine.
What is the SMILES notation for 1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine?
The canonical SMILES for 1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine is CON=C(c1ccccc1)c1cccc(CBr)c1.
What is the InChIKey of 1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine?
The InChIKey is XIZYCPUTJVLELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-18-17-15(13-7-3-2-4-8-13)14-9-5-6-12(10-14)11-16/h2-10H,11H2,1H3.
What are the key properties of 1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine?
1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine has a molecular weight of 304.19 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine is sourced from PubChem (CID 87106056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).