(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine

C11H15BrFN — CID 130039777

IUPAC(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H15BrFN/c1-11(2,3)10(14)7-4-8(12)6-9(13)5-7/h4-6,10H,14H2,1-3H3/t10-/m0/s1
InChIKeyRCLXQCKEQHYVEJ-JTQLQIEISA-N
MW260.15 g/mol
LogP3.63
Rot. Bonds1

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

(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 130039777) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is (1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
PubChem CID130039777
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H15BrFN/c1-11(2,3)10(14)7-4-8(12)6-9(13)5-7/h4-6,10H,14H2,1-3H3/t10-/m0/s1
InChIKeyRCLXQCKEQHYVEJ-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

(3S)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247688
(1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312309
(3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171240971
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242162
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
(1S)-1-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 131283592
1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031167
1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 66423671
(2S,3S)-3-amino-3-(3-bromo-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171267781
1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine
CID 79446725
(1S)-1-(3-bromo-5-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171223533

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine (CID 130039777) is (1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine is CC(C)(C)[C@@H](N)c1cc(F)cc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is RCLXQCKEQHYVEJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15BrFN/c1-11(2,3)10(14)7-4-8(12)6-9(13)5-7/h4-6,10H,14H2,1-3H3/t10-/m0/s1.
What are the key properties of (1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine?
(1R)-1-(3-bromo-5-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-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 130039777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).