1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol

C14H22FNO3 — CID 129176050

IUPAC1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol
SMILESCNC[C@H](OCC(C)(C)O)c1cc(F)ccc1OC
InChIInChI=1S/C14H22FNO3/c1-14(2,17)9-19-13(8-16-3)11-7-10(15)5-6-12(11)18-4/h5-7,13,16-17H,8-9H2,1-4H3/t13-/m0/s1
InChIKeyODVBOGNVBLGVFK-ZDUSSCGKSA-N
MW271.33 g/mol
LogP1.88
Rot. Bonds7

About 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol

1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol (PubChem CID 129176050) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol
PubChem CID129176050
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol
SMILESCNC[C@H](OCC(C)(C)O)c1cc(F)ccc1OC
InChIInChI=1S/C14H22FNO3/c1-14(2,17)9-19-13(8-16-3)11-7-10(15)5-6-12(11)18-4/h5-7,13,16-17H,8-9H2,1-4H3/t13-/m0/s1
InChIKeyODVBOGNVBLGVFK-ZDUSSCGKSA-N
XLogP1.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol (CID 129176050) is 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol is CNC[C@H](OCC(C)(C)O)c1cc(F)ccc1OC.
What is the InChIKey of 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol?
The InChIKey is ODVBOGNVBLGVFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-14(2,17)9-19-13(8-16-3)11-7-10(15)5-6-12(11)18-4/h5-7,13,16-17H,8-9H2,1-4H3/t13-/m0/s1.
What are the key properties of 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol?
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol has a molecular weight of 271.33 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 129176050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).