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

C11H15BrFNO — CID 103778517

IUPAC(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol
SMILESCC(N[C@H](C)CO)c1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNO/c1-7(6-15)14-8(2)10-4-3-9(13)5-11(10)12/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8?/m1/s1
InChIKeyDCQINUBRSZFWAM-GVHYBUMESA-N
MW276.15 g/mol
LogP2.62
Rot. Bonds4

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

(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol (PubChem CID 103778517) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is (2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol
PubChem CID103778517
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol
SMILESCC(N[C@H](C)CO)c1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNO/c1-7(6-15)14-8(2)10-4-3-9(13)5-11(10)12/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8?/m1/s1
InChIKeyDCQINUBRSZFWAM-GVHYBUMESA-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

3-[1-(2-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 115722179
3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol
CID 113261992
5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
N-[1-(2-bromo-4-fluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 104860307
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 115704341
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
4-[1-(2-bromo-4-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103787544
4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol
CID 104581898
2-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-methylbutanamide
CID 106344381
2-N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 103778387
(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride
CID 171201244
2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115717189

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol?
The IUPAC name of (2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol (CID 103778517) is (2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol is CC(N[C@H](C)CO)c1ccc(F)cc1Br.
What is the InChIKey of (2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol?
The InChIKey is DCQINUBRSZFWAM-GVHYBUMESA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-7(6-15)14-8(2)10-4-3-9(13)5-11(10)12/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of (2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol?
(2R)-2-[1-(2-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 (2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 103778517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).