(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol

C22H22FNO2 — CID 124700879

IUPAC(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
SMILESO[C@H](CNCc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C22H22FNO2/c23-20-11-9-19(10-12-20)22(25)15-24-14-18-7-4-8-21(13-18)26-16-17-5-2-1-3-6-17/h1-13,22,24-25H,14-16H2/t22-/m1/s1
InChIKeyXPLAOEAHBSHWKN-JOCHJYFZSA-N
MW351.42 g/mol
LogP4.23
Rot. Bonds8

About (1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol

(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol (PubChem CID 124700879) has the molecular formula C22H22FNO2 and a molecular weight of 351.42 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
PubChem CID124700879
Molecular FormulaC22H22FNO2
Molecular Weight351.42 g/mol
Exact Mass351.16
IUPAC Name(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
SMILESO[C@H](CNCc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C22H22FNO2/c23-20-11-9-19(10-12-20)22(25)15-24-14-18-7-4-8-21(13-18)26-16-17-5-2-1-3-6-17/h1-13,22,24-25H,14-16H2/t22-/m1/s1
InChIKeyXPLAOEAHBSHWKN-JOCHJYFZSA-N
XLogP4.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 4720510
2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17055126
4-[3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenoxy]butanenitrile
CID 119108897
(1S)-2-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993453
(1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993379
1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol
CID 107230540
(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol
CID 29222092
1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295165
2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
CID 2950906
1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
CID 134033677

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol (CID 124700879) is (1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol is O[C@H](CNCc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol?
The InChIKey is XPLAOEAHBSHWKN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22FNO2/c23-20-11-9-19(10-12-20)22(25)15-24-14-18-7-4-8-21(13-18)26-16-17-5-2-1-3-6-17/h1-13,22,24-25H,14-16H2/t22-/m1/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol?
(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol has a molecular weight of 351.42 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 124700879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).