1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine

C12H17BrFN — CID 65020022

IUPAC1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine
SMILESCCCC(C)(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C12H17BrFN/c1-3-6-12(2,15)8-9-7-10(14)4-5-11(9)13/h4-5,7H,3,6,8,15H2,1-2H3
InChIKeyFGKRLBZDGIZKHX-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.65
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine

1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine (PubChem CID 65020022) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine
PubChem CID65020022
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine
SMILESCCCC(C)(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C12H17BrFN/c1-3-6-12(2,15)8-9-7-10(14)4-5-11(9)13/h4-5,7H,3,6,8,15H2,1-2H3
InChIKeyFGKRLBZDGIZKHX-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-5-fluorophenyl)-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-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine
CID 65020142
1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine
CID 106273555
1-bromo-2-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzene
CID 66050911
2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 83160097
1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 79711391
4-(2-bromo-5-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81035051
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 82779386
3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 62723348
2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 55196819
1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834058
2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 63509190
1-(2-bromo-5-fluorophenyl)-2-(2-bromophenyl)propan-2-ol
CID 65144862

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine (CID 65020022) is 1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine is CCCC(C)(N)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine?
The InChIKey is FGKRLBZDGIZKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-3-6-12(2,15)8-9-7-10(14)4-5-11(9)13/h4-5,7H,3,6,8,15H2,1-2H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine?
1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine has a molecular weight of 274.18 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine is sourced from PubChem (CID 65020022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).