2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol

C11H15F2NO — CID 63261549

IUPAC2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)NCC(F)F
InChIInChI=1S/C11H15F2NO/c12-11(13)7-14-10(8-15)6-9-4-2-1-3-5-9/h1-5,10-11,14-15H,6-8H2
InChIKeyWENYAWUCAQAZSB-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.44
Rot. Bonds6

About 2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol

2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol (PubChem CID 63261549) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol
PubChem CID63261549
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)NCC(F)F
InChIInChI=1S/C11H15F2NO/c12-11(13)7-14-10(8-15)6-9-4-2-1-3-5-9/h1-5,10-11,14-15H,6-8H2
InChIKeyWENYAWUCAQAZSB-UHFFFAOYSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
2-(2-methylpentylamino)-3-phenylpropan-1-ol
CID 63260515
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
(2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol
CID 107860721
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
(2S)-2-[[4-[2-[bis[2-[bis[4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methylbutyl]amino]ethyl]amino]ethyl-[4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methylbutyl]amino]-2-methylbutyl]amino]-3-phenylpropan-1-ol
CID 102481876
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 63260434
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
2-(heptylamino)-3-phenylpropan-1-ol
CID 63260589
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 104922782

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol?
The IUPAC name of 2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol (CID 63261549) is 2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol is OCC(Cc1ccccc1)NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol?
The InChIKey is WENYAWUCAQAZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c12-11(13)7-14-10(8-15)6-9-4-2-1-3-5-9/h1-5,10-11,14-15H,6-8H2.
What are the key properties of 2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol?
2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol has a molecular weight of 215.24 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 63261549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).