1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine

C17H20FNS — CID 64619889

IUPAC1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1ccccc1F)c1ccc(C)c(C)c1
InChIInChI=1S/C17H20FNS/c1-12-8-9-14(10-13(12)2)16(19-3)11-20-17-7-5-4-6-15(17)18/h4-10,16,19H,11H2,1-3H3
InChIKeyBLEHQGZTIUCCRQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.50
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine

1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine (PubChem CID 64619889) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
PubChem CID64619889
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC Name1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1ccccc1F)c1ccc(C)c(C)c1
InChIInChI=1S/C17H20FNS/c1-12-8-9-14(10-13(12)2)16(19-3)11-20-17-7-5-4-6-15(17)18/h4-10,16,19H,11H2,1-3H3
InChIKeyBLEHQGZTIUCCRQ-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-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 107560383
1-(3-chloro-4-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 107560397
1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66099055
1-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 64621833
[1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 105236186
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64648242
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 66053094
1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 64620085
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 115809738
N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66096332
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 66051734

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine (CID 64619889) is 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine is CNC(CSc1ccccc1F)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine?
The InChIKey is BLEHQGZTIUCCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-12-8-9-14(10-13(12)2)16(19-3)11-20-17-7-5-4-6-15(17)18/h4-10,16,19H,11H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine?
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine 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-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine is sourced from PubChem (CID 64619889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).