2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine

C16H18FNS — CID 64620706

IUPAC2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
SMILESCNC(CSc1ccc(F)cc1)c1cccc(C)c1
InChIInChI=1S/C16H18FNS/c1-12-4-3-5-13(10-12)16(18-2)11-19-15-8-6-14(17)7-9-15/h3-10,16,18H,11H2,1-2H3
InChIKeySPWFHYDGVQQOEW-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.19
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine

2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine (PubChem CID 64620706) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
PubChem CID64620706
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
SMILESCNC(CSc1ccc(F)cc1)c1cccc(C)c1
InChIInChI=1S/C16H18FNS/c1-12-4-3-5-13(10-12)16(18-2)11-19-15-8-6-14(17)7-9-15/h3-10,16,18H,11H2,1-2H3
InChIKeySPWFHYDGVQQOEW-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

2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol
CID 66071789
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 66055898
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
CID 66071816
[1-(3-fluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine
CID 105236697
1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066186
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 79703608
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide
CID 177471445
1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 66086804
2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 66056292
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
CID 82802933

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine (CID 64620706) is 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine is CNC(CSc1ccc(F)cc1)c1cccc(C)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine?
The InChIKey is SPWFHYDGVQQOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-12-4-3-5-13(10-12)16(18-2)11-19-15-8-6-14(17)7-9-15/h3-10,16,18H,11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine?
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine 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 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 64620706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).