1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine

C17H20FNS — CID 66096546

IUPAC1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccccc1C)c1ccc(F)cc1C
InChIInChI=1S/C17H20FNS/c1-12-6-4-5-7-17(12)20-11-16(19-3)15-9-8-14(18)10-13(15)2/h4-10,16,19H,11H2,1-3H3
InChIKeyWOUOZEBBBMCMDJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.50
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine

1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 66096546) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
PubChem CID66096546
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccccc1C)c1ccc(F)cc1C
InChIInChI=1S/C17H20FNS/c1-12-6-4-5-7-17(12)20-11-16(19-3)15-9-8-14(18)10-13(15)2/h4-10,16,19H,11H2,1-3H3
InChIKeyWOUOZEBBBMCMDJ-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395120
1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 65143326
N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66096332
[1-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
CID 105237339
2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine
CID 66143100
[1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
CID 105397872
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121
1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 55116050
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66096733
1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64649870
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64650228
3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 82923277

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine (CID 66096546) is 1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine is CNC(CSc1ccccc1C)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is WOUOZEBBBMCMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-12-6-4-5-7-17(12)20-11-16(19-3)15-9-8-14(18)10-13(15)2/h4-10,16,19H,11H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 289.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66096546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).