1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol

C13H20FNOS — CID 113478825

IUPAC1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol
SMILESCSC(C)(C)CNCC(O)c1ccc(F)cc1
InChIInChI=1S/C13H20FNOS/c1-13(2,17-3)9-15-8-12(16)10-4-6-11(14)7-5-10/h4-7,12,15-16H,8-9H2,1-3H3
InChIKeyHSFVBOBXKBIURC-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.59
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol

1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol (PubChem CID 113478825) has the molecular formula C13H20FNOS and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol
PubChem CID113478825
Molecular FormulaC13H20FNOS
Molecular Weight257.37 g/mol
Exact Mass257.12
IUPAC Name1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol
SMILESCSC(C)(C)CNCC(O)c1ccc(F)cc1
InChIInChI=1S/C13H20FNOS/c1-13(2,17-3)9-15-8-12(16)10-4-6-11(14)7-5-10/h4-7,12,15-16H,8-9H2,1-3H3
InChIKeyHSFVBOBXKBIURC-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol
CID 60714901
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64912479
1-(4-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
CID 114187755
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 100764025
1-(4-fluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577350
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
methyl 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanoate
CID 111109844
1-(4-fluorophenyl)-2-[(1-methylcyclopentyl)methylamino]ethanol
CID 63821700
2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 64681384

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol (CID 113478825) is 1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol is CSC(C)(C)CNCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol?
The InChIKey is HSFVBOBXKBIURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNOS/c1-13(2,17-3)9-15-8-12(16)10-4-6-11(14)7-5-10/h4-7,12,15-16H,8-9H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol?
1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol has a molecular weight of 257.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]ethanol is sourced from PubChem (CID 113478825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).