1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine

C14H16FNOS — CID 107779906

IUPAC1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine
SMILESCc1occc1SC(c1ccc(F)cc1)C(C)N
InChIInChI=1S/C14H16FNOS/c1-9(16)14(11-3-5-12(15)6-4-11)18-13-7-8-17-10(13)2/h3-9,14H,16H2,1-2H3
InChIKeyXCPKPOIZSMDPBK-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.91
Rot. Bonds4

About 1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine

1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine (PubChem CID 107779906) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine
PubChem CID107779906
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine
SMILESCc1occc1SC(c1ccc(F)cc1)C(C)N
InChIInChI=1S/C14H16FNOS/c1-9(16)14(11-3-5-12(15)6-4-11)18-13-7-8-17-10(13)2/h3-9,14H,16H2,1-2H3
InChIKeyXCPKPOIZSMDPBK-UHFFFAOYSA-N
XLogP3.91
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine (CID 107779906) is 1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine is Cc1occc1SC(c1ccc(F)cc1)C(C)N.
What is the InChIKey of 1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine?
The InChIKey is XCPKPOIZSMDPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-9(16)14(11-3-5-12(15)6-4-11)18-13-7-8-17-10(13)2/h3-9,14H,16H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine?
1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine has a molecular weight of 265.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine is sourced from PubChem (CID 107779906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).