1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine

C13H19BrFN — CID 79708487

IUPAC1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine
SMILESCC(C)(C)CC(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C13H19BrFN/c1-13(2,3)8-12(16)6-9-4-10(14)7-11(15)5-9/h4-5,7,12H,6,8,16H2,1-3H3
InChIKeyKWUPTBPTURVFSE-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.89
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine

1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine (PubChem CID 79708487) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine
PubChem CID79708487
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine
SMILESCC(C)(C)CC(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C13H19BrFN/c1-13(2,3)8-12(16)6-9-4-10(14)7-11(15)5-9/h4-5,7,12H,6,8,16H2,1-3H3
InChIKeyKWUPTBPTURVFSE-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-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-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 105169372
1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine
CID 116660348
1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 61079242
1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029524
1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 79708482
[1-(3-bromo-5-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105324889
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
1-(3-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 79709615
2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 105015396
1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 79702565
1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103028593
6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine
CID 79709444

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine (CID 79708487) is 1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine is CC(C)(C)CC(N)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine?
The InChIKey is KWUPTBPTURVFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-13(2,3)8-12(16)6-9-4-10(14)7-11(15)5-9/h4-5,7,12H,6,8,16H2,1-3H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine?
1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine has a molecular weight of 288.20 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 79708487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).