1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine

C12H17BrFN — CID 79702565

IUPAC1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine
SMILESCC(C)C(C)(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C12H17BrFN/c1-8(2)12(3,15)7-9-4-10(13)6-11(14)5-9/h4-6,8H,7,15H2,1-3H3
InChIKeyJJQCUFFZYDJQID-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.50
Rot. Bonds3

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

1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine (PubChem CID 79702565) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine
PubChem CID79702565
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine
SMILESCC(C)C(C)(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C12H17BrFN/c1-8(2)12(3,15)7-9-4-10(13)6-11(14)5-9/h4-6,8H,7,15H2,1-3H3
InChIKeyJJQCUFFZYDJQID-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-methylbutan-2-amine
CID 79702455
1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 79711391
1-(3-bromo-5-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 79701638
4-[(3-bromo-5-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865491
2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83160212
N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83150975
2-[(3-bromo-5-fluorophenyl)methyl]-2-ethylbutan-1-amine
CID 79708939
2-[(3-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 79709505
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine
CID 79702900
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine
CID 79702014
1-bromo-3-fluoro-5-(2-fluoro-2-methylpropyl)benzene;propane-1,3-diol
CID 143797670

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine (CID 79702565) is 1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine is CC(C)C(C)(N)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine?
The InChIKey is JJQCUFFZYDJQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-8(2)12(3,15)7-9-4-10(13)6-11(14)5-9/h4-6,8H,7,15H2,1-3H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine?
1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine has a molecular weight of 274.18 g/mol, XLogP of 3.50, 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)-2,3-dimethylbutan-2-amine is sourced from PubChem (CID 79702565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).