(1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine

C11H14BrF2N — CID 131315667

IUPAC(1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
SMILESCC(C)C[C@@H](N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H14BrF2N/c1-6(2)3-10(15)11-8(13)4-7(12)5-9(11)14/h4-6,10H,3,15H2,1-2H3/t10-/m1/s1
InChIKeyJUGHUTLNVQIDHV-SNVBAGLBSA-N
MW278.14 g/mol
LogP3.77
Rot. Bonds3

About (1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine

(1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine (PubChem CID 131315667) has the molecular formula C11H14BrF2N and a molecular weight of 278.14 g/mol. Its IUPAC name is (1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
PubChem CID131315667
Molecular FormulaC11H14BrF2N
Molecular Weight278.14 g/mol
Exact Mass277.03
IUPAC Name(1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
SMILESCC(C)C[C@@H](N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H14BrF2N/c1-6(2)3-10(15)11-8(13)4-7(12)5-9(11)14/h4-6,10H,3,15H2,1-2H3/t10-/m1/s1
InChIKeyJUGHUTLNVQIDHV-SNVBAGLBSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-3-methyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 28501623
(1S)-1-(4-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313079
1-(4-bromo-2,6-difluorophenyl)ethanamine
CID 67403497
(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine
CID 115806943
1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine
CID 83402968
(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol
CID 131090979
(1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171206699
(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine
CID 171204972
2-[(1R)-1-amino-3-methylbutyl]-3,5-difluorophenol;hydrochloride
CID 171256551
(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol
CID 130722751

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine (CID 131315667) is (1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine is CC(C)C[C@@H](N)c1c(F)cc(Br)cc1F.
What is the InChIKey of (1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine?
The InChIKey is JUGHUTLNVQIDHV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14BrF2N/c1-6(2)3-10(15)11-8(13)4-7(12)5-9(11)14/h4-6,10H,3,15H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine?
(1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine has a molecular weight of 278.14 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 131315667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).