(3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine

C15H14BrNO — CID 87178024

IUPAC(3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine
SMILES[H]/N=C(\c1cccc(Br)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C15H14BrNO/c1-10-8-12(6-7-14(10)18-2)15(17)11-4-3-5-13(16)9-11/h3-9,17H,1-2H3/b17-15+
InChIKeyZTGRVNBIBQJDKQ-BMRADRMJSA-N
MW304.19 g/mol
LogP4.18
Rot. Bonds3

About (3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine

(3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine (PubChem CID 87178024) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is (3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine.

Molecular Properties

Compound Name(3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine
PubChem CID87178024
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name(3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine
SMILES[H]/N=C(\c1cccc(Br)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C15H14BrNO/c1-10-8-12(6-7-14(10)18-2)15(17)11-4-3-5-13(16)9-11/h3-9,17H,1-2H3/b17-15+
InChIKeyZTGRVNBIBQJDKQ-BMRADRMJSA-N
XLogP4.18
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine?
The IUPAC name of (3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine (CID 87178024) is (3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine.
What is the SMILES notation for (3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine?
The canonical SMILES for (3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine is [H]/N=C(\c1cccc(Br)c1)c1ccc(OC)c(C)c1.
What is the InChIKey of (3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine?
The InChIKey is ZTGRVNBIBQJDKQ-BMRADRMJSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-10-8-12(6-7-14(10)18-2)15(17)11-4-3-5-13(16)9-11/h3-9,17H,1-2H3/b17-15+.
What are the key properties of (3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine?
(3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine has a molecular weight of 304.19 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine is sourced from PubChem (CID 87178024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).