(1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol

C17H20FNO — CID 71213732

IUPAC(1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@H](NC[C@H](O)[C@H](F)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20FNO/c1-13(14-8-4-2-5-9-14)19-12-16(20)17(18)15-10-6-3-7-11-15/h2-11,13,16-17,19-20H,12H2,1H3/t13-,16-,17+/m0/s1
InChIKeyANDFNODOYWDGSJ-RRQGHBQHSA-N
MW273.35 g/mol
LogP3.41
Rot. Bonds6

About (1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol

(1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol (PubChem CID 71213732) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
PubChem CID71213732
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@H](NC[C@H](O)[C@H](F)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20FNO/c1-13(14-8-4-2-5-9-14)19-12-16(20)17(18)15-10-6-3-7-11-15/h2-11,13,16-17,19-20H,12H2,1H3/t13-,16-,17+/m0/s1
InChIKeyANDFNODOYWDGSJ-RRQGHBQHSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
The IUPAC name of (1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol (CID 71213732) is (1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol.
What is the SMILES notation for (1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
The canonical SMILES for (1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol is C[C@H](NC[C@H](O)[C@H](F)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
The InChIKey is ANDFNODOYWDGSJ-RRQGHBQHSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(14-8-4-2-5-9-14)19-12-16(20)17(18)15-10-6-3-7-11-15/h2-11,13,16-17,19-20H,12H2,1H3/t13-,16-,17+/m0/s1.
What are the key properties of (1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
(1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol has a molecular weight of 273.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol is sourced from PubChem (CID 71213732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).