1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol

C14H19F2NOS — CID 80722671

IUPAC1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol
SMILESCC1(CNCC(O)c2cc(F)ccc2F)CCCS1
InChIInChI=1S/C14H19F2NOS/c1-14(5-2-6-19-14)9-17-8-13(18)11-7-10(15)3-4-12(11)16/h3-4,7,13,17-18H,2,5-6,8-9H2,1H3
InChIKeyWIEGRIOXOLQXGQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.87
Rot. Bonds5

About 1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol

1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol (PubChem CID 80722671) has the molecular formula C14H19F2NOS and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol
PubChem CID80722671
Molecular FormulaC14H19F2NOS
Molecular Weight287.37 g/mol
Exact Mass287.12
IUPAC Name1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol
SMILESCC1(CNCC(O)c2cc(F)ccc2F)CCCS1
InChIInChI=1S/C14H19F2NOS/c1-14(5-2-6-19-14)9-17-8-13(18)11-7-10(15)3-4-12(11)16/h3-4,7,13,17-18H,2,5-6,8-9H2,1H3
InChIKeyWIEGRIOXOLQXGQ-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 65109009
(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105094902
1-(1,3-benzodioxol-5-yl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol
CID 80722607
1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760984
1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285464
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol
CID 54893307
1-(2-chloro-4-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723574
1-(2,5-dichlorophenoxy)-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol
CID 80732828
1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
CID 65108673
1-(2,5-difluorophenyl)-2-(3-methylsulfonylpropylamino)ethanol
CID 54905559
1-(4-bromo-2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528679

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol (CID 80722671) is 1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol is CC1(CNCC(O)c2cc(F)ccc2F)CCCS1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol?
The InChIKey is WIEGRIOXOLQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-14(5-2-6-19-14)9-17-8-13(18)11-7-10(15)3-4-12(11)16/h3-4,7,13,17-18H,2,5-6,8-9H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol?
1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol has a molecular weight of 287.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol is sourced from PubChem (CID 80722671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).