1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine

C12H17BrFN — CID 79711391

IUPAC1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine
SMILESCCCC(C)(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C12H17BrFN/c1-3-4-12(2,15)8-9-5-10(13)7-11(14)6-9/h5-7H,3-4,8,15H2,1-2H3
InChIKeyLMUPDKPGIQPEAI-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.65
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine

1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine (PubChem CID 79711391) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine
PubChem CID79711391
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine
SMILESCCCC(C)(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C12H17BrFN/c1-3-4-12(2,15)8-9-5-10(13)7-11(14)6-9/h5-7H,3-4,8,15H2,1-2H3
InChIKeyLMUPDKPGIQPEAI-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

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-methylbutan-2-amine
CID 79702455
1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 79702565
1-(3-bromo-5-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 79701638
2-[(3-bromo-5-fluorophenyl)methyl]-2-ethylbutan-1-amine
CID 79708939
1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine
CID 65020142
1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 65020022
2-[(3-bromo-5-fluorophenyl)methyl]-2-ethylbutanoic acid
CID 79702744
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-(3-bromo-5-fluorophenyl)-2-(3-fluorophenyl)butan-2-amine
CID 114872661
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-methylpentan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine (CID 79711391) is 1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine is CCCC(C)(N)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine?
The InChIKey is LMUPDKPGIQPEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-3-4-12(2,15)8-9-5-10(13)7-11(14)6-9/h5-7H,3-4,8,15H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine?
1-(3-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-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine is sourced from PubChem (CID 79711391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).