(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine

C11H15BrFN — CID 130901944

IUPAC(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1c(F)cccc1Br
InChIInChI=1S/C11H15BrFN/c1-11(2,3)10(14)9-7(12)5-4-6-8(9)13/h4-6,10H,14H2,1-3H3/t10-/m0/s1
InChIKeyYZKHAXDGUMWMMV-JTQLQIEISA-N
MW260.15 g/mol
LogP3.63
Rot. Bonds1

About (1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine

(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 130901944) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is (1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine
PubChem CID130901944
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1c(F)cccc1Br
InChIInChI=1S/C11H15BrFN/c1-11(2,3)10(14)9-7(12)5-4-6-8(9)13/h4-6,10H,14H2,1-3H3/t10-/m0/s1
InChIKeyYZKHAXDGUMWMMV-JTQLQIEISA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromo-6-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312299
1-(2-bromo-6-fluorophenyl)-2,2,2-trifluoroethanamine
CID 77127823
2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline
CID 130715208
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol
CID 130921663
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781
(1R,2S)-1-amino-1-(2-bromo-6-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171261980
(1S)-1-(2-bromo-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 171223217
(2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine
CID 114559117
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 114558834
1-(2-bromo-6-fluorophenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 114886689

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine (CID 130901944) is (1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine is CC(C)(C)[C@@H](N)c1c(F)cccc1Br.
What is the InChIKey of (1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is YZKHAXDGUMWMMV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15BrFN/c1-11(2,3)10(14)9-7(12)5-4-6-8(9)13/h4-6,10H,14H2,1-3H3/t10-/m0/s1.
What are the key properties of (1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine?
(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 260.15 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 130901944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).