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

C20H20FNO — CID 86288363

IUPAC(1S,2S)-1-(2-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](O)c1ccccc1F
InChIInChI=1S/C20H20FNO/c1-22-13-18(20(23)17-8-4-5-9-19(17)21)16-11-10-14-6-2-3-7-15(14)12-16/h2-12,18,20,22-23H,13H2,1H3/t18-,20-/m1/s1
InChIKeySIHJLDGXFAZQND-UYAOXDASSA-N
MW309.38 g/mol
LogP4.02
Rot. Bonds5

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

(1S,2S)-1-(2-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol (PubChem CID 86288363) has the molecular formula C20H20FNO and a molecular weight of 309.38 g/mol. Its IUPAC name is (1S,2S)-1-(2-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-1-(2-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
PubChem CID86288363
Molecular FormulaC20H20FNO
Molecular Weight309.38 g/mol
Exact Mass309.15
IUPAC Name(1S,2S)-1-(2-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](O)c1ccccc1F
InChIInChI=1S/C20H20FNO/c1-22-13-18(20(23)17-8-4-5-9-19(17)21)16-11-10-14-6-2-3-7-15(14)12-16/h2-12,18,20,22-23H,13H2,1H3/t18-,20-/m1/s1
InChIKeySIHJLDGXFAZQND-UYAOXDASSA-N
XLogP4.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pronethalol
CID 4930
(1S,2S)-3-(Methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631904
Pronetalol hydrochloride
CID 60975
AN-1792
CID 3029491
2-Amino-1-(naphthalen-2-yl)ethan-1-ol
CID 2735379
Butidrine
CID 15177
Pronetalol, (R)-
CID 6604181
(1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol
CID 11630988
(1R,2R)-3-(methylamino)-2-(naphthalen-2-yl)-1-phenylpropan-1-ol
CID 20631901
SN 1796
CID 213804
(3,3-Dimethylaziridin-2-yl)-naphthalen-2-ylmethanol
CID 12398053
(2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride
CID 45262335

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(2-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
The IUPAC name of (1S,2S)-1-(2-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol (CID 86288363) is (1S,2S)-1-(2-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for (1S,2S)-1-(2-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for (1S,2S)-1-(2-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol is CNC[C@H](c1ccc2ccccc2c1)[C@H](O)c1ccccc1F.
What is the InChIKey of (1S,2S)-1-(2-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
The InChIKey is SIHJLDGXFAZQND-UYAOXDASSA-N. The full InChI is InChI=1S/C20H20FNO/c1-22-13-18(20(23)17-8-4-5-9-19(17)21)16-11-10-14-6-2-3-7-15(14)12-16/h2-12,18,20,22-23H,13H2,1H3/t18-,20-/m1/s1.
What are the key properties of (1S,2S)-1-(2-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
(1S,2S)-1-(2-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol has a molecular weight of 309.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(2-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 86288363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).