4-(2-bromophenyl)-2-methylpentan-2-amine

C12H18BrN — CID 83913148

IUPAC4-(2-bromophenyl)-2-methylpentan-2-amine
SMILESCC(CC(C)(C)N)c1ccccc1Br
InChIInChI=1S/C12H18BrN/c1-9(8-12(2,3)14)10-6-4-5-7-11(10)13/h4-7,9H,8,14H2,1-3H3
InChIKeyBHDSTQOEXCCLKF-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.68
Rot. Bonds3

About 4-(2-bromophenyl)-2-methylpentan-2-amine

4-(2-bromophenyl)-2-methylpentan-2-amine (PubChem CID 83913148) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-methylpentan-2-amine
PubChem CID83913148
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name4-(2-bromophenyl)-2-methylpentan-2-amine
SMILESCC(CC(C)(C)N)c1ccccc1Br
InChIInChI=1S/C12H18BrN/c1-9(8-12(2,3)14)10-6-4-5-7-11(10)13/h4-7,9H,8,14H2,1-3H3
InChIKeyBHDSTQOEXCCLKF-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2-bromophenyl)-2-methylpentan-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-bromo-2-heptan-2-ylbenzene
CID 59216916
2-(2-bromophenyl)propane-1-sulfonamide
CID 90319364
1-bromo-2-[(2R)-nonan-2-yl]benzene
CID 139715975
2-(2-bromophenyl)propoxy-tert-butyl-dimethylsilane
CID 174100478
1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine
CID 116905841
3-(2-bromophenyl)-N-methylbutan-1-amine
CID 83693034
N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine
CID 66436074
1-bromo-2-hex-4-yn-2-ylbenzene
CID 83924125
ethyl 3-(2-bromophenyl)butanoate
CID 21217383
3-(2-bromophenyl)butanimidamide
CID 83693021
N-[1-(2-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61168179
4-[2-(2-bromophenyl)propyl]morpholine
CID 115052168

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-methylpentan-2-amine?
The IUPAC name of 4-(2-bromophenyl)-2-methylpentan-2-amine (CID 83913148) is 4-(2-bromophenyl)-2-methylpentan-2-amine.
What is the SMILES notation for 4-(2-bromophenyl)-2-methylpentan-2-amine?
The canonical SMILES for 4-(2-bromophenyl)-2-methylpentan-2-amine is CC(CC(C)(C)N)c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-2-methylpentan-2-amine?
The InChIKey is BHDSTQOEXCCLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-9(8-12(2,3)14)10-6-4-5-7-11(10)13/h4-7,9H,8,14H2,1-3H3.
What are the key properties of 4-(2-bromophenyl)-2-methylpentan-2-amine?
4-(2-bromophenyl)-2-methylpentan-2-amine has a molecular weight of 256.19 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-methylpentan-2-amine is sourced from PubChem (CID 83913148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).