1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine

C10H14FNS — CID 62692362

IUPAC1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)c1ccccc1F
InChIInChI=1S/C10H14FNS/c1-12-10(7-13-2)8-5-3-4-6-9(8)11/h3-6,10,12H,7H2,1-2H3
InChIKeySKNXDXBICAORGB-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.45
Rot. Bonds4

About 1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine

1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine (PubChem CID 62692362) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
PubChem CID62692362
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)c1ccccc1F
InChIInChI=1S/C10H14FNS/c1-12-10(7-13-2)8-5-3-4-6-9(8)11/h3-6,10,12H,7H2,1-2H3
InChIKeySKNXDXBICAORGB-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066784
1-(2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 63892587
1-(2-fluorophenyl)-N-methylpentan-1-amine
CID 63083903
3-(2-fluorophenyl)-3-(methylamino)propanenitrile
CID 116955204
1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine
CID 62691947
methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate
CID 65235054
1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66037563
1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63083908
2-(5-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 103048641
1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 105394877
1-(2-fluorophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 61078359
2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 62537490

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine (CID 62692362) is 1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine is CNC(CSC)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine?
The InChIKey is SKNXDXBICAORGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-12-10(7-13-2)8-5-3-4-6-9(8)11/h3-6,10,12H,7H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine?
1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine has a molecular weight of 199.29 g/mol, XLogP of 2.45, 4 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-2-methylsulfanylethanamine is sourced from PubChem (CID 62692362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).