1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine

C17H19Br2N — CID 139781917

IUPAC1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine
SMILESCC1(/C=N/C(C)(C)c2ccc(Br)cc2)C=CC(Br)=CC1
InChIInChI=1S/C17H19Br2N/c1-16(2,13-4-6-14(18)7-5-13)20-12-17(3)10-8-15(19)9-11-17/h4-10,12H,11H2,1-3H3/b20-12+
InChIKeyMFHKFYBPUGXBRQ-UDWIEESQSA-N
MW397.15 g/mol
LogP6.00
Rot. Bonds3

About 1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine

1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine (PubChem CID 139781917) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is 1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine.

Molecular Properties

Compound Name1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine
PubChem CID139781917
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC Name1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine
SMILESCC1(/C=N/C(C)(C)c2ccc(Br)cc2)C=CC(Br)=CC1
InChIInChI=1S/C17H19Br2N/c1-16(2,13-4-6-14(18)7-5-13)20-12-17(3)10-8-15(19)9-11-17/h4-10,12H,11H2,1-3H3/b20-12+
InChIKeyMFHKFYBPUGXBRQ-UDWIEESQSA-N
XLogP6.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.15
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine?
The IUPAC name of 1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine (CID 139781917) is 1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine.
What is the SMILES notation for 1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine?
The canonical SMILES for 1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine is CC1(/C=N/C(C)(C)c2ccc(Br)cc2)C=CC(Br)=CC1.
What is the InChIKey of 1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine?
The InChIKey is MFHKFYBPUGXBRQ-UDWIEESQSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-16(2,13-4-6-14(18)7-5-13)20-12-17(3)10-8-15(19)9-11-17/h4-10,12H,11H2,1-3H3/b20-12+.
What are the key properties of 1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine?
1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine has a molecular weight of 397.15 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)-N-[2-(4-bromophenyl)propan-2-yl]methanimine is sourced from PubChem (CID 139781917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).