(1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol

C18H16FNO — CID 129394418

IUPAC(1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol
SMILESN[C@H](c1ccc(F)cc1)[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C18H16FNO/c19-14-10-8-13(9-11-14)17(20)18(21)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17-18,21H,20H2/t17-,18+/m1/s1
InChIKeyHYXOOKCCWIVILZ-MSOLQXFVSA-N
MW281.33 g/mol
LogP3.71
Rot. Bonds3

About (1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol

(1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol (PubChem CID 129394418) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol
PubChem CID129394418
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name(1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol
SMILESN[C@H](c1ccc(F)cc1)[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C18H16FNO/c19-14-10-8-13(9-11-14)17(20)18(21)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17-18,21H,20H2/t17-,18+/m1/s1
InChIKeyHYXOOKCCWIVILZ-MSOLQXFVSA-N
XLogP3.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
CID 171161126
2-amino-1-(2,3-difluorophenyl)-2-phenylethanol
CID 63669574
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
1,3,4-trihydroxy-4-naphthalen-1-ylbutan-2-one
CID 102281218
(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331
(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile
CID 102509549
(2,4-difluorophenyl)-naphthalen-1-ylmethanol
CID 61087726
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-naphthalen-1-ylacetamide
CID 70090974
1-(4-fluorophenyl)-2-(naphthalen-1-ylamino)ethanol
CID 60720496
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
2-fluoro-2-naphthalen-1-ylethanamine
CID 112562724

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol?
The IUPAC name of (1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol (CID 129394418) is (1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol.
What is the SMILES notation for (1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol?
The canonical SMILES for (1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol is N[C@H](c1ccc(F)cc1)[C@@H](O)c1cccc2ccccc12.
What is the InChIKey of (1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol?
The InChIKey is HYXOOKCCWIVILZ-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H16FNO/c19-14-10-8-13(9-11-14)17(20)18(21)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17-18,21H,20H2/t17-,18+/m1/s1.
What are the key properties of (1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol?
(1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol has a molecular weight of 281.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol is sourced from PubChem (CID 129394418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).