(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol

C11H15BrFNO — CID 103788936

IUPAC(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol
SMILESCC(N[C@@H](C)CO)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H15BrFNO/c1-7(6-15)14-8(2)9-3-4-11(13)10(12)5-9/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8?/m0/s1
InChIKeyRGYFVTAXUZYDJG-JAMMHHFISA-N
MW276.15 g/mol
LogP2.62
Rot. Bonds4

About (2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol

(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol (PubChem CID 103788936) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is (2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol
PubChem CID103788936
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol
SMILESCC(N[C@@H](C)CO)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H15BrFNO/c1-7(6-15)14-8(2)9-3-4-11(13)10(12)5-9/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8?/m0/s1
InChIKeyRGYFVTAXUZYDJG-JAMMHHFISA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-bromo-4-fluorophenyl)ethylamino]propane-1,3-diol
CID 65315700
3-[1-(3-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 81339647
2-N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945400
(2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol
CID 114987014
(2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 104926128
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine
CID 63462421
2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol
CID 115724755
(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
2-[1-(4-bromo-3-fluorophenyl)ethylamino]propane-1,3-diol
CID 115733556
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755957
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43769191
2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide
CID 54950521

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol?
The IUPAC name of (2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol (CID 103788936) is (2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol is CC(N[C@@H](C)CO)c1ccc(F)c(Br)c1.
What is the InChIKey of (2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol?
The InChIKey is RGYFVTAXUZYDJG-JAMMHHFISA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-7(6-15)14-8(2)9-3-4-11(13)10(12)5-9/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8?/m0/s1.
What are the key properties of (2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol?
(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol has a molecular weight of 276.15 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 103788936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).