1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine

C15H24FNS — CID 64619887

IUPAC1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(CSc1ccccc1F)C(C)(C)C
InChIInChI=1S/C15H24FNS/c1-5-10-17-14(15(2,3)4)11-18-13-9-7-6-8-12(13)16/h6-9,14,17H,5,10-11H2,1-4H3
InChIKeySWXJNENPDZDBHK-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.33
Rot. Bonds6

About 1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine

1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 64619887) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID64619887
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC Name1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(CSc1ccccc1F)C(C)(C)C
InChIInChI=1S/C15H24FNS/c1-5-10-17-14(15(2,3)4)11-18-13-9-7-6-8-12(13)16/h6-9,14,17H,5,10-11H2,1-4H3
InChIKeySWXJNENPDZDBHK-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

3,3-dimethyl-1-(2-nitrophenyl)sulfanyl-N-propylbutan-2-amine
CID 64610553
N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66051528
6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine
CID 106808222
1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64614328
N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine
CID 66053069
3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylbutan-2-amine
CID 64648159
N-[2-(2-chlorophenyl)sulfanyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 66140977
1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 66466100
N-[1-(4-chloro-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 114656036
1-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 64621833
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine
CID 66051552

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine (CID 64619887) is 1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(CSc1ccccc1F)C(C)(C)C.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is SWXJNENPDZDBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-5-10-17-14(15(2,3)4)11-18-13-9-7-6-8-12(13)16/h6-9,14,17H,5,10-11H2,1-4H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine?
1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 64619887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).