2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine

C13H19BrFN — CID 62505363

IUPAC2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine
SMILESCC(C)CC(CN)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H19BrFN/c1-9(2)5-11(8-16)6-10-3-4-13(15)12(14)7-10/h3-4,7,9,11H,5-6,8,16H2,1-2H3
InChIKeyHZBLBYXZVGMRJM-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.75
Rot. Bonds5

About 2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine

2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine (PubChem CID 62505363) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine
PubChem CID62505363
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine
SMILESCC(C)CC(CN)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H19BrFN/c1-9(2)5-11(8-16)6-10-3-4-13(15)12(14)7-10/h3-4,7,9,11H,5-6,8,16H2,1-2H3
InChIKeyHZBLBYXZVGMRJM-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-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

3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 79441426
1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine
CID 115818971
4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62505527
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 43371868
2-[(3-bromo-4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 61246252
2-[(3-bromo-4-fluorophenyl)methyl]-3-[(3-methyl-1-pyridin-4-ylbutyl)amino]propan-1-ol
CID 166383600
3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62528281
1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412804
2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 82930150
2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54971855
[1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105290502
2-[(3-bromo-4-fluorophenyl)methyl]-N-propylpentan-1-amine
CID 55197357

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine?
The IUPAC name of 2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine (CID 62505363) is 2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine?
The canonical SMILES for 2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine is CC(C)CC(CN)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine?
The InChIKey is HZBLBYXZVGMRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-9(2)5-11(8-16)6-10-3-4-13(15)12(14)7-10/h3-4,7,9,11H,5-6,8,16H2,1-2H3.
What are the key properties of 2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine?
2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine is sourced from PubChem (CID 62505363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).