1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine

C17H28FNOS — CID 103035770

IUPAC1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)CSc1ccc(F)cc1
InChIInChI=1S/C17H28FNOS/c1-5-12-19-15(10-11-17(2,3)20-4)13-21-16-8-6-14(18)7-9-16/h6-9,15,19H,5,10-13H2,1-4H3
InChIKeyXAHURWOLHZMGBP-UHFFFAOYSA-N
MW313.48 g/mol
LogP4.49
Rot. Bonds10

About 1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine

1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine (PubChem CID 103035770) has the molecular formula C17H28FNOS and a molecular weight of 313.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine
PubChem CID103035770
Molecular FormulaC17H28FNOS
Molecular Weight313.48 g/mol
Exact Mass313.19
IUPAC Name1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)CSc1ccc(F)cc1
InChIInChI=1S/C17H28FNOS/c1-5-12-19-15(10-11-17(2,3)20-4)13-21-16-8-6-14(18)7-9-16/h6-9,15,19H,5,10-13H2,1-4H3
InChIKeyXAHURWOLHZMGBP-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103035763
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
CID 66066503
1-(4-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66064735
1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79446165
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031710
5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine
CID 103035628
1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83176061
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine
CID 79179710
1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031493
1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 66065316
4-(4-fluorophenyl)sulfanyl-2-(propylamino)butanenitrile
CID 63055475

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine (CID 103035770) is 1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine is CCCNC(CCC(C)(C)OC)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine?
The InChIKey is XAHURWOLHZMGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNOS/c1-5-12-19-15(10-11-17(2,3)20-4)13-21-16-8-6-14(18)7-9-16/h6-9,15,19H,5,10-13H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine?
1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine has a molecular weight of 313.48 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 103035770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).