(1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol

C20H19F2NO — CID 86288523

IUPAC(1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](O)c1cc(F)cc(F)c1
InChIInChI=1S/C20H19F2NO/c1-23-12-19(20(24)16-9-17(21)11-18(22)10-16)15-7-6-13-4-2-3-5-14(13)8-15/h2-11,19-20,23-24H,12H2,1H3/t19-,20-/m1/s1
InChIKeyOKQCBRXAICHRKL-WOJBJXKFSA-N
MW327.37 g/mol
LogP4.15
Rot. Bonds5

About (1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol

(1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol (PubChem CID 86288523) has the molecular formula C20H19F2NO and a molecular weight of 327.37 g/mol. Its IUPAC name is (1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
PubChem CID86288523
Molecular FormulaC20H19F2NO
Molecular Weight327.37 g/mol
Exact Mass327.14
IUPAC Name(1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](O)c1cc(F)cc(F)c1
InChIInChI=1S/C20H19F2NO/c1-23-12-19(20(24)16-9-17(21)11-18(22)10-16)15-7-6-13-4-2-3-5-14(13)8-15/h2-11,19-20,23-24H,12H2,1H3/t19-,20-/m1/s1
InChIKeyOKQCBRXAICHRKL-WOJBJXKFSA-N
XLogP4.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
The IUPAC name of (1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol (CID 86288523) is (1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for (1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for (1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol is CNC[C@H](c1ccc2ccccc2c1)[C@H](O)c1cc(F)cc(F)c1.
What is the InChIKey of (1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
The InChIKey is OKQCBRXAICHRKL-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H19F2NO/c1-23-12-19(20(24)16-9-17(21)11-18(22)10-16)15-7-6-13-4-2-3-5-14(13)8-15/h2-11,19-20,23-24H,12H2,1H3/t19-,20-/m1/s1.
What are the key properties of (1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
(1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol has a molecular weight of 327.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(3,5-difluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 86288523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).