1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine

C13H14FNOS — CID 83175961

IUPAC1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine
SMILESNC(CSc1ccccc1F)Cc1ccco1
InChIInChI=1S/C13H14FNOS/c14-12-5-1-2-6-13(12)17-9-10(15)8-11-4-3-7-16-11/h1-7,10H,8-9,15H2
InChIKeyVWRPORXXURYWHT-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.08
Rot. Bonds5

About 1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine

1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine (PubChem CID 83175961) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine
PubChem CID83175961
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine
SMILESNC(CSc1ccccc1F)Cc1ccco1
InChIInChI=1S/C13H14FNOS/c14-12-5-1-2-6-13(12)17-9-10(15)8-11-4-3-7-16-11/h1-7,10H,8-9,15H2
InChIKeyVWRPORXXURYWHT-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 102857673
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 114348029
1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66051531
1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine
CID 66051534
1-butan-2-ylsulfanyl-3-(furan-2-yl)propan-2-amine
CID 83175444
1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 66052300
1,4-bis(furan-2-yl)butan-2-amine
CID 105177346
1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049641
1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol
CID 115830159
1-(furan-2-yl)-4-methylsulfanylbutan-2-amine
CID 105177500
1-(furan-2-yl)pent-4-en-2-amine
CID 116660416
2-[2-amino-3-(furan-2-yl)propoxy]phenol
CID 117246117

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine (CID 83175961) is 1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine is NC(CSc1ccccc1F)Cc1ccco1.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine?
The InChIKey is VWRPORXXURYWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c14-12-5-1-2-6-13(12)17-9-10(15)8-11-4-3-7-16-11/h1-7,10H,8-9,15H2.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine?
1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 83175961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).