(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol

C11H15F2NO — CID 93082624

IUPAC(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
SMILESC[C@H](CO)N[C@@H](C)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO/c1-7(6-15)14-8(2)10-5-9(12)3-4-11(10)13/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8+/m1/s1
InChIKeyGSHGYFQNNPHZHY-SFYZADRCSA-N
MW215.24 g/mol
LogP2.00
Rot. Bonds4

About (2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol

(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol (PubChem CID 93082624) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
PubChem CID93082624
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
SMILESC[C@H](CO)N[C@@H](C)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO/c1-7(6-15)14-8(2)10-5-9(12)3-4-11(10)13/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8+/m1/s1
InChIKeyGSHGYFQNNPHZHY-SFYZADRCSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine
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1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103778517
N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
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N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine
CID 43108471
N-[1-(2,5-difluorophenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115639051
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828542
N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43110371
(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
CID 103922371
N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61472940
N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 43693054

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol (CID 93082624) is (2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol is C[C@H](CO)N[C@@H](C)c1cc(F)ccc1F.
What is the InChIKey of (2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol?
The InChIKey is GSHGYFQNNPHZHY-SFYZADRCSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(6-15)14-8(2)10-5-9(12)3-4-11(10)13/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol?
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol has a molecular weight of 215.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 93082624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).