(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine

C10H13BrFN — CID 131093124

IUPAC(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1cc(F)ccc1Br
InChIInChI=1S/C10H13BrFN/c1-6(2)10(13)8-5-7(12)3-4-9(8)11/h3-6,10H,13H2,1-2H3/t10-/m0/s1
InChIKeyURVOIFKNVMDALO-JTQLQIEISA-N
MW246.12 g/mol
LogP3.24
Rot. Bonds2

About (1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine

(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 131093124) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is (1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine
PubChem CID131093124
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1cc(F)ccc1Br
InChIInChI=1S/C10H13BrFN/c1-6(2)10(13)8-5-7(12)3-4-9(8)11/h3-6,10H,13H2,1-2H3/t10-/m0/s1
InChIKeyURVOIFKNVMDALO-JTQLQIEISA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine
CID 131010900
1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine
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2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride
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(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine
CID 130883143
[1-(2-bromo-5-fluorophenyl)-2-methylpropyl]hydrazine
CID 105281765
(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine
CID 124707188
1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 83988354
(1S)-1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 103694433
2-(aminomethyl)-1-(2-bromo-5-fluorophenyl)-3-methylbutan-1-ol
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2-amino-2-(2-bromo-5-fluorophenyl)ethanol
CID 77130177

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine (CID 131093124) is (1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine is CC(C)[C@H](N)c1cc(F)ccc1Br.
What is the InChIKey of (1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is URVOIFKNVMDALO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13BrFN/c1-6(2)10(13)8-5-7(12)3-4-9(8)11/h3-6,10H,13H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine?
(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 246.12 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 131093124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).