2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine

C17H26BrN — CID 79338842

IUPAC2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
SMILESCc1cc(C=C(CNC(C)(C)C)C(C)C)ccc1Br
InChIInChI=1S/C17H26BrN/c1-12(2)15(11-19-17(4,5)6)10-14-7-8-16(18)13(3)9-14/h7-10,12,19H,11H2,1-6H3
InChIKeyRWMJHFQCMOSJNV-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.19
Rot. Bonds4

About 2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine

2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine (PubChem CID 79338842) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
PubChem CID79338842
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
SMILESCc1cc(C=C(CNC(C)(C)C)C(C)C)ccc1Br
InChIInChI=1S/C17H26BrN/c1-12(2)15(11-19-17(4,5)6)10-14-7-8-16(18)13(3)9-14/h7-10,12,19H,11H2,1-6H3
InChIKeyRWMJHFQCMOSJNV-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine 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 2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine?
The IUPAC name of 2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine (CID 79338842) is 2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine?
The canonical SMILES for 2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine is Cc1cc(C=C(CNC(C)(C)C)C(C)C)ccc1Br.
What is the InChIKey of 2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine?
The InChIKey is RWMJHFQCMOSJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-12(2)15(11-19-17(4,5)6)10-14-7-8-16(18)13(3)9-14/h7-10,12,19H,11H2,1-6H3.
What are the key properties of 2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine?
2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine is sourced from PubChem (CID 79338842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).