1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine

C17H20FNS — CID 66088346

IUPAC1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1cccc(C)c1)Cc1ccccc1F
InChIInChI=1S/C17H20FNS/c1-13-6-5-8-16(10-13)20-12-15(19-2)11-14-7-3-4-9-17(14)18/h3-10,15,19H,11-12H2,1-2H3
InChIKeyUAYRINWJIUXBBV-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.06
Rot. Bonds6

About 1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine

1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine (PubChem CID 66088346) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
PubChem CID66088346
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC Name1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1cccc(C)c1)Cc1ccccc1F
InChIInChI=1S/C17H20FNS/c1-13-6-5-8-16(10-13)20-12-15(19-2)11-14-7-3-4-9-17(14)18/h3-10,15,19H,11-12H2,1-2H3
InChIKeyUAYRINWJIUXBBV-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088351
1-(3-chlorophenyl)sulfanyl-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 66145791
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 102857682
1-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66070169
1-(3-chloro-4-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 103040177
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088736
[1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105237086
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 115983844
1-(2,6-dichlorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088936
1-(3,4-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087965
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine
CID 66088350

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine (CID 66088346) is 1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine is CNC(CSc1cccc(C)c1)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is UAYRINWJIUXBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-13-6-5-8-16(10-13)20-12-15(19-2)11-14-7-3-4-9-17(14)18/h3-10,15,19H,11-12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine?
1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66088346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).