1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine

C10H12BrF2N — CID 83402968

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C10H12BrF2N/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,10H,14H2,1-2H3
InChIKeyOIAFIOYEMAWECR-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.38
Rot. Bonds2

About 1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine

1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine (PubChem CID 83402968) has the molecular formula C10H12BrF2N and a molecular weight of 264.11 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine
PubChem CID83402968
Molecular FormulaC10H12BrF2N
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C10H12BrF2N/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,10H,14H2,1-2H3
InChIKeyOIAFIOYEMAWECR-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol
CID 130722751
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 43198662
1-(4-bromo-2,6-difluorophenyl)ethanamine
CID 67403497
(1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride
CID 171268660
[1-(4-bromo-2,6-difluorophenyl)-2-methylpropyl]hydrazine
CID 105281800
(1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 131315667
(1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol
CID 171263004
(1R)-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-amine
CID 130631106
(1S)-1-(4-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313079
(1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol
CID 171268665
(1S)-1-(4-bromo-2,6-difluorophenyl)prop-2-en-1-amine
CID 130898055
(1S,2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171262994

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine (CID 83402968) is 1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine is CC(C)C(N)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine?
The InChIKey is OIAFIOYEMAWECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,10H,14H2,1-2H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine?
1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine has a molecular weight of 264.11 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 83402968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).