4-(3-bromophenyl)-2-methylbutan-2-amine

C11H16BrN — CID 82117635

IUPAC4-(3-bromophenyl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1cccc(Br)c1
InChIInChI=1S/C11H16BrN/c1-11(2,13)7-6-9-4-3-5-10(12)8-9/h3-5,8H,6-7,13H2,1-2H3
InChIKeyVKDLTAMOMMUFGN-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.12
Rot. Bonds3

About 4-(3-bromophenyl)-2-methylbutan-2-amine

4-(3-bromophenyl)-2-methylbutan-2-amine (PubChem CID 82117635) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-methylbutan-2-amine
PubChem CID82117635
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name4-(3-bromophenyl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1cccc(Br)c1
InChIInChI=1S/C11H16BrN/c1-11(2,13)7-6-9-4-3-5-10(12)8-9/h3-5,8H,6-7,13H2,1-2H3
InChIKeyVKDLTAMOMMUFGN-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-bromophenyl)-2-methylbutan-2-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 4-(3-bromophenyl)-2-methylbutan-2-amine?
The IUPAC name of 4-(3-bromophenyl)-2-methylbutan-2-amine (CID 82117635) is 4-(3-bromophenyl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(3-bromophenyl)-2-methylbutan-2-amine is CC(C)(N)CCc1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-2-methylbutan-2-amine?
The InChIKey is VKDLTAMOMMUFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-11(2,13)7-6-9-4-3-5-10(12)8-9/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)-2-methylbutan-2-amine?
4-(3-bromophenyl)-2-methylbutan-2-amine has a molecular weight of 242.16 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-methylbutan-2-amine is sourced from PubChem (CID 82117635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).