1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine

C16H20FNOS — CID 83176061

IUPAC1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccc(F)cc1)Cc1ccoc1
InChIInChI=1S/C16H20FNOS/c1-2-8-18-15(10-13-7-9-19-11-13)12-20-16-5-3-14(17)4-6-16/h3-7,9,11,15,18H,2,8,10,12H2,1H3
InChIKeyOPWJAUJJEAEPMP-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.12
Rot. Bonds8

About 1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine

1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine (PubChem CID 83176061) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
PubChem CID83176061
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC Name1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccc(F)cc1)Cc1ccoc1
InChIInChI=1S/C16H20FNOS/c1-2-8-18-15(10-13-7-9-19-11-13)12-20-16-5-3-14(17)4-6-16/h3-7,9,11,15,18H,2,8,10,12H2,1H3
InChIKeyOPWJAUJJEAEPMP-UHFFFAOYSA-N
XLogP4.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-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-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83175659
N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine
CID 83175239
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
CID 83175253
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
CID 66066503
1-(4-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66064735
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(furan-3-yl)ethanamine
CID 66065314
1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 66065316
4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 83182973
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
N-ethyl-1-(4-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83174702
1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66055714
1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 83175808

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine (CID 83176061) is 1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine is CCCNC(CSc1ccc(F)cc1)Cc1ccoc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine?
The InChIKey is OPWJAUJJEAEPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-2-8-18-15(10-13-7-9-19-11-13)12-20-16-5-3-14(17)4-6-16/h3-7,9,11,15,18H,2,8,10,12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine?
1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 83176061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).