1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine

C15H24FNS — CID 79446165

IUPAC1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(CSc1ccc(F)cc1)C(C)CC
InChIInChI=1S/C15H24FNS/c1-4-10-17-15(12(3)5-2)11-18-14-8-6-13(16)7-9-14/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyORGSKFXTYHSBNT-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.33
Rot. Bonds8

About 1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine

1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine (PubChem CID 79446165) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
PubChem CID79446165
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC Name1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(CSc1ccc(F)cc1)C(C)CC
InChIInChI=1S/C15H24FNS/c1-4-10-17-15(12(3)5-2)11-18-14-8-6-13(16)7-9-14/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyORGSKFXTYHSBNT-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(4-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 107896580
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
CID 66066503
1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79445979
3-methyl-1-methylsulfanyl-N-propylpentan-2-amine
CID 79445388
1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine
CID 79179710
1-(4-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66064735
5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 64619560
1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103035770
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine
CID 79445793
1-(4-fluorophenyl)-2-(propylamino)butan-1-ol
CID 82313150
2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine
CID 105017368
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine (CID 79446165) is 1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine is CCCNC(CSc1ccc(F)cc1)C(C)CC.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine?
The InChIKey is ORGSKFXTYHSBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-4-10-17-15(12(3)5-2)11-18-14-8-6-13(16)7-9-14/h6-9,12,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine?
1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 79446165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).