2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine

C13H18FNOS — CID 55092520

IUPAC2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
SMILESFc1ccccc1SCCNCC1CCOC1
InChIInChI=1S/C13H18FNOS/c14-12-3-1-2-4-13(12)17-8-6-15-9-11-5-7-16-10-11/h1-4,11,15H,5-10H2
InChIKeyKOWYTZZUJYMGIW-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.54
Rot. Bonds6

About 2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine

2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 55092520) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID55092520
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
SMILESFc1ccccc1SCCNCC1CCOC1
InChIInChI=1S/C13H18FNOS/c14-12-3-1-2-4-13(12)17-8-6-15-9-11-5-7-16-10-11/h1-4,11,15H,5-10H2
InChIKeyKOWYTZZUJYMGIW-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine
CID 62577012
1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 125173472
N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine
CID 62878034
2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112606580
N-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine
CID 63381591
2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine
CID 62582805
N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine
CID 62579243
1-(2-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986373
3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine
CID 103896914
2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 82825971
2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 62564827
N-(oxolan-3-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine
CID 115887244

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine (CID 55092520) is 2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine is Fc1ccccc1SCCNCC1CCOC1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is KOWYTZZUJYMGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c14-12-3-1-2-4-13(12)17-8-6-15-9-11-5-7-16-10-11/h1-4,11,15H,5-10H2.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine?
2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 55092520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).