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

C17H26FNOS — CID 66053068

IUPAC1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccccc1F)CC1CCOCC1
InChIInChI=1S/C17H26FNOS/c1-2-9-19-15(12-14-7-10-20-11-8-14)13-21-17-6-4-3-5-16(17)18/h3-6,14-15,19H,2,7-13H2,1H3
InChIKeyUJSOEWHJQBFPPE-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.10
Rot. Bonds8

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

1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)-N-propylpropan-2-amine (PubChem CID 66053068) has the molecular formula C17H26FNOS and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)-N-propylpropan-2-amine
PubChem CID66053068
Molecular FormulaC17H26FNOS
Molecular Weight311.47 g/mol
Exact Mass311.17
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccccc1F)CC1CCOCC1
InChIInChI=1S/C17H26FNOS/c1-2-9-19-15(12-14-7-10-20-11-8-14)13-21-17-6-4-3-5-16(17)18/h3-6,14-15,19H,2,7-13H2,1H3
InChIKeyUJSOEWHJQBFPPE-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)-N-propylpropan-2-amine (CID 66053068) is 1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)-N-propylpropan-2-amine is CCCNC(CSc1ccccc1F)CC1CCOCC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)-N-propylpropan-2-amine?
The InChIKey is UJSOEWHJQBFPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNOS/c1-2-9-19-15(12-14-7-10-20-11-8-14)13-21-17-6-4-3-5-16(17)18/h3-6,14-15,19H,2,7-13H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)-N-propylpropan-2-amine?
1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)-N-propylpropan-2-amine has a molecular weight of 311.47 g/mol, XLogP of 4.10, 8 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-(oxan-4-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 66053068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).