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

C13H19BrFN — CID 62723295

IUPAC2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)Cc1ccc(Br)cc1F
InChIInChI=1S/C13H19BrFN/c1-3-6-13(2,9-16)8-10-4-5-11(14)7-12(10)15/h4-5,7H,3,6,8-9,16H2,1-2H3
InChIKeyBYOTWAIFENYXTR-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.90
Rot. Bonds5

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

2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine (PubChem CID 62723295) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine
PubChem CID62723295
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)Cc1ccc(Br)cc1F
InChIInChI=1S/C13H19BrFN/c1-3-6-13(2,9-16)8-10-4-5-11(14)7-12(10)15/h4-5,7H,3,6,8-9,16H2,1-2H3
InChIKeyBYOTWAIFENYXTR-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(4-bromo-2-fluorophenyl)methyl]-2-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-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565168
2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63508741
2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725310
2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine
CID 82930843
2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 62723407
1-(4-bromo-2-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 55187150
1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine
CID 65020142
1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine
CID 62621665
1-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-amine
CID 55096347
N'-[(4-bromo-2-fluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660769
1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66040311
4-bromo-2-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-fluorobenzene
CID 79453032

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine (CID 62723295) is 2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine is CCCC(C)(CN)Cc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine?
The InChIKey is BYOTWAIFENYXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-3-6-13(2,9-16)8-10-4-5-11(14)7-12(10)15/h4-5,7H,3,6,8-9,16H2,1-2H3.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine?
2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine is sourced from PubChem (CID 62723295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).