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

C16H18FNS — CID 66066784

IUPAC1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccc(C)cc1)c1ccccc1F
InChIInChI=1S/C16H18FNS/c1-12-7-9-13(10-8-12)19-11-16(18-2)14-5-3-4-6-15(14)17/h3-10,16,18H,11H2,1-2H3
InChIKeyCECXTZMNEJLGEQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.19
Rot. Bonds5

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

1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine (PubChem CID 66066784) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
PubChem CID66066784
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccc(C)cc1)c1ccccc1F
InChIInChI=1S/C16H18FNS/c1-12-7-9-13(10-8-12)19-11-16(18-2)14-5-3-4-6-15(14)17/h3-10,16,18H,11H2,1-2H3
InChIKeyCECXTZMNEJLGEQ-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066186
1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 62692362
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 82771709
1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 65143326
[1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 105236949
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 106881610
1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82822057
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 64620706
3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine
CID 66065398
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82770137
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072696
1-(2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 63892587

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine (CID 66066784) is 1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine is CNC(CSc1ccc(C)cc1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine?
The InChIKey is CECXTZMNEJLGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-12-7-9-13(10-8-12)19-11-16(18-2)14-5-3-4-6-15(14)17/h3-10,16,18H,11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine?
1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine has a molecular weight of 275.39 g/mol, XLogP of 4.19, 5 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-(4-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66066784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).