4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine

C15H24BrN — CID 81022084

IUPAC4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)Cc1cccc(Br)c1
InChIInChI=1S/C15H24BrN/c1-12(2)17-9-8-15(3,4)11-13-6-5-7-14(16)10-13/h5-7,10,12,17H,8-9,11H2,1-4H3
InChIKeyHDIWPVMIBTYOQO-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.41
Rot. Bonds6

About 4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine

4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 81022084) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID81022084
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)Cc1cccc(Br)c1
InChIInChI=1S/C15H24BrN/c1-12(2)17-9-8-15(3,4)11-13-6-5-7-14(16)10-13/h5-7,10,12,17H,8-9,11H2,1-4H3
InChIKeyHDIWPVMIBTYOQO-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-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

Related Compounds

4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
CID 81032768
5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717647
5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 64716821
1-bromo-3-(4-bromo-2,2-dimethylpentyl)benzene
CID 64718331
5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine
CID 64715737
3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine
CID 104737370
3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 81022087
4-(3-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 102864418
4-(5-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 103051801
3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 81022510
N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine
CID 63454056
1-bromo-3-(3,3-dimethylbutyl)benzene
CID 58974913

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine (CID 81022084) is 4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)(C)Cc1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is HDIWPVMIBTYOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-12(2)17-9-8-15(3,4)11-13-6-5-7-14(16)10-13/h5-7,10,12,17H,8-9,11H2,1-4H3.
What are the key properties of 4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81022084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).