1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine

C13H14FNOS — CID 107524245

IUPAC1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
SMILESNC(CSCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C13H14FNOS/c14-11-5-3-10(4-6-11)13(15)9-17-8-12-2-1-7-16-12/h1-7,13H,8-9,15H2
InChIKeyWVEGTIRPZQDARO-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.35
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine

1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine (PubChem CID 107524245) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
PubChem CID107524245
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
SMILESNC(CSCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C13H14FNOS/c14-11-5-3-10(4-6-11)13(15)9-17-8-12-2-1-7-16-12/h1-7,13H,8-9,15H2
InChIKeyWVEGTIRPZQDARO-UHFFFAOYSA-N
XLogP3.35
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 64610510
1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 107524242
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64609270
4-(furan-2-ylmethylsulfanyl)butan-2-amine
CID 64611326
1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128851
2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan
CID 78761640
1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine
CID 55014973
2-(4-fluorophenyl)-2-(furan-2-ylmethoxy)ethanamine
CID 55014972
2-[[2-(bromomethyl)-3,3-dimethylbutyl]sulfanylmethyl]furan
CID 65016482
1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 61079810
methyl 2-amino-4-(furan-2-ylmethylsulfanyl)butanoate
CID 63034284
1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine
CID 83175961

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine (CID 107524245) is 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine is NC(CSCc1ccco1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
The InChIKey is WVEGTIRPZQDARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c14-11-5-3-10(4-6-11)13(15)9-17-8-12-2-1-7-16-12/h1-7,13H,8-9,15H2.
What are the key properties of 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 107524245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).