2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol

C20H24FNO3 — CID 111380854

IUPAC2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC2(c3ccc(F)cc3)CCOCC2)c1
InChIInChI=1S/C20H24FNO3/c1-24-18-4-2-3-15(13-18)19(23)14-22-20(9-11-25-12-10-20)16-5-7-17(21)8-6-16/h2-8,13,19,22-23H,9-12,14H2,1H3
InChIKeyJNWRWNMZVIDNIY-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.16
Rot. Bonds6

About 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol

2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol (PubChem CID 111380854) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol
PubChem CID111380854
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC2(c3ccc(F)cc3)CCOCC2)c1
InChIInChI=1S/C20H24FNO3/c1-24-18-4-2-3-15(13-18)19(23)14-22-20(9-11-25-12-10-20)16-5-7-17(21)8-6-16/h2-8,13,19,22-23H,9-12,14H2,1H3
InChIKeyJNWRWNMZVIDNIY-UHFFFAOYSA-N
XLogP3.16
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol
CID 81133448
2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol
CID 111382295
2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 104760779
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol
CID 81134310
2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134030
3-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 110663372
1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 119765478
1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol
CID 133372605
N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 138993452
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 27456725
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol (CID 111380854) is 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNC2(c3ccc(F)cc3)CCOCC2)c1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is JNWRWNMZVIDNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-24-18-4-2-3-15(13-18)19(23)14-22-20(9-11-25-12-10-20)16-5-7-17(21)8-6-16/h2-8,13,19,22-23H,9-12,14H2,1H3.
What are the key properties of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol?
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 345.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 111380854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).