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

C11H16BrN — CID 83693037

IUPAC3-(3-bromophenyl)-3-methylbutan-2-amine
SMILESCC(N)C(C)(C)c1cccc(Br)c1
InChIInChI=1S/C11H16BrN/c1-8(13)11(2,3)9-5-4-6-10(12)7-9/h4-8H,13H2,1-3H3
InChIKeyVNWHOGXHOCJZDG-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.07
Rot. Bonds2

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

3-(3-bromophenyl)-3-methylbutan-2-amine (PubChem CID 83693037) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-methylbutan-2-amine
PubChem CID83693037
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name3-(3-bromophenyl)-3-methylbutan-2-amine
SMILESCC(N)C(C)(C)c1cccc(Br)c1
InChIInChI=1S/C11H16BrN/c1-8(13)11(2,3)9-5-4-6-10(12)7-9/h4-8H,13H2,1-3H3
InChIKeyVNWHOGXHOCJZDG-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-bromophenyl)-3-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

Related Compounds

1-(3-bromophenyl)-1,1-difluoropropan-2-amine
CID 91926944
2-(3-bromophenyl)-2,3-dimethylbutanoyl chloride
CID 117048084
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
[2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane
CID 137329878
1-bromo-3-(2-chlorobutan-2-yl)benzene
CID 171061964
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
2-(3-bromophenyl)-6-methylheptan-2-amine
CID 83158078
1-bromo-3-(2-isocyanopropan-2-yl)benzene
CID 58883473
1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 55187138
1-bromo-3-(1,1-difluoro-3-methylbutyl)benzene
CID 116993062
O-[2-(3-bromophenyl)-2-methylpropyl]hydroxylamine
CID 83693076
1-bromo-3-(2-isocyanatopropan-2-yl)benzene
CID 21329846

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-methylbutan-2-amine?
The IUPAC name of 3-(3-bromophenyl)-3-methylbutan-2-amine (CID 83693037) is 3-(3-bromophenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 3-(3-bromophenyl)-3-methylbutan-2-amine?
The canonical SMILES for 3-(3-bromophenyl)-3-methylbutan-2-amine is CC(N)C(C)(C)c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-3-methylbutan-2-amine?
The InChIKey is VNWHOGXHOCJZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-8(13)11(2,3)9-5-4-6-10(12)7-9/h4-8H,13H2,1-3H3.
What are the key properties of 3-(3-bromophenyl)-3-methylbutan-2-amine?
3-(3-bromophenyl)-3-methylbutan-2-amine has a molecular weight of 242.16 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 83693037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).