(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol

C16H17F2NO2 — CID 171268459

IUPAC(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol
SMILESN[C@@H](c1cccc(OC(F)F)c1)[C@H](O)Cc1ccccc1
InChIInChI=1S/C16H17F2NO2/c17-16(18)21-13-8-4-7-12(10-13)15(19)14(20)9-11-5-2-1-3-6-11/h1-8,10,14-16,20H,9,19H2/t14-,15+/m1/s1
InChIKeyBMWAQXRYSBROIT-CABCVRRESA-N
MW293.31 g/mol
LogP2.89
Rot. Bonds6

About (1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol

(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol (PubChem CID 171268459) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol
PubChem CID171268459
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol
SMILESN[C@@H](c1cccc(OC(F)F)c1)[C@H](O)Cc1ccccc1
InChIInChI=1S/C16H17F2NO2/c17-16(18)21-13-8-4-7-12(10-13)15(19)14(20)9-11-5-2-1-3-6-11/h1-8,10,14-16,20H,9,19H2/t14-,15+/m1/s1
InChIKeyBMWAQXRYSBROIT-CABCVRRESA-N
XLogP2.89
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171262763
(1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262632
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-5-methylhexan-2-ol
CID 171268457
(1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264272
(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
CID 171263718
1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 114980286
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol
CID 171262338
(1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol
CID 171261805
(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 66512368
2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 61079788
3-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzonitrile;hydrochloride
CID 171261456
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262339

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol (CID 171268459) is (1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol is N[C@@H](c1cccc(OC(F)F)c1)[C@H](O)Cc1ccccc1.
What is the InChIKey of (1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol?
The InChIKey is BMWAQXRYSBROIT-CABCVRRESA-N. The full InChI is InChI=1S/C16H17F2NO2/c17-16(18)21-13-8-4-7-12(10-13)15(19)14(20)9-11-5-2-1-3-6-11/h1-8,10,14-16,20H,9,19H2/t14-,15+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol?
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol has a molecular weight of 293.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol is sourced from PubChem (CID 171268459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).