(2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol

C16H17F2NO — CID 104922865

IUPAC(2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NCc1cc(F)ccc1F
InChIInChI=1S/C16H17F2NO/c17-14-6-7-16(18)13(9-14)10-19-15(11-20)8-12-4-2-1-3-5-12/h1-7,9,15,19-20H,8,10-11H2/t15-/m1/s1
InChIKeyXJRWUZMKLUSKNC-OAHLLOKOSA-N
MW277.31 g/mol
LogP2.66
Rot. Bonds6

About (2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol

(2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 104922865) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID104922865
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NCc1cc(F)ccc1F
InChIInChI=1S/C16H17F2NO/c17-14-6-7-16(18)13(9-14)10-19-15(11-20)8-12-4-2-1-3-5-12/h1-7,9,15,19-20H,8,10-11H2/t15-/m1/s1
InChIKeyXJRWUZMKLUSKNC-OAHLLOKOSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610067
(2S)-2-[(2-chloro-4-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610186
(2S)-2-[(2-bromo-4-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610113
2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 63261455
3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 104922782
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922916
(2S)-2-[(4-bromo-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610133
2-[(4-bromo-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 81002992
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
4-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]benzene-1,2,3-triol
CID 107860798
2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167666

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol (CID 104922865) is (2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol is OC[C@@H](Cc1ccccc1)NCc1cc(F)ccc1F.
What is the InChIKey of (2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is XJRWUZMKLUSKNC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17F2NO/c17-14-6-7-16(18)13(9-14)10-19-15(11-20)8-12-4-2-1-3-5-12/h1-7,9,15,19-20H,8,10-11H2/t15-/m1/s1.
What are the key properties of (2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol?
(2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 277.31 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104922865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).