(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol

C11H15F2NO — CID 93082006

IUPAC(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO/c1-7(15)6-14-8(2)10-4-3-9(12)5-11(10)13/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8+/m0/s1
InChIKeyQYBGSSRYWTYZBT-JGVFFNPUSA-N
MW215.24 g/mol
LogP2.00
Rot. Bonds4

About (2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol

(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol (PubChem CID 93082006) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
PubChem CID93082006
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO/c1-7(15)6-14-8(2)10-4-3-9(12)5-11(10)13/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8+/m0/s1
InChIKeyQYBGSSRYWTYZBT-JGVFFNPUSA-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

(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005
4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 66092240
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 97358724
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine
CID 43103346
1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81348797
1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 110877386
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol (CID 93082006) is (2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol is C[C@H](O)CN[C@H](C)c1ccc(F)cc1F.
What is the InChIKey of (2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol?
The InChIKey is QYBGSSRYWTYZBT-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(15)6-14-8(2)10-4-3-9(12)5-11(10)13/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol?
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-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 (2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 93082006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).