1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine

C11H16FNS — CID 105088240

IUPAC1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1ccc(F)cc1
InChIInChI=1S/C11H16FNS/c1-13-11(7-8-14-2)9-3-5-10(12)6-4-9/h3-6,11,13H,7-8H2,1-2H3
InChIKeyXKKWTRSHJYEXCL-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.84
Rot. Bonds5

About 1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine

1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 105088240) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
PubChem CID105088240
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1ccc(F)cc1
InChIInChI=1S/C11H16FNS/c1-13-11(7-8-14-2)9-3-5-10(12)6-4-9/h3-6,11,13H,7-8H2,1-2H3
InChIKeyXKKWTRSHJYEXCL-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-fluorophenyl)-3-methylsulfanylpropyl]hydrazine
CID 105284085
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948511
1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105102526
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105180217
N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine
CID 105154090
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105176598
1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105141261
1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 116831645
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43481297
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643635
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine (CID 105088240) is 1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine is CNC(CCSC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is XKKWTRSHJYEXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-13-11(7-8-14-2)9-3-5-10(12)6-4-9/h3-6,11,13H,7-8H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 105088240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).