1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine

C17H19F2NS — CID 66097384

IUPAC1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1ccccc1C)c1c(F)cccc1F
InChIInChI=1S/C17H19F2NS/c1-3-20-15(17-13(18)8-6-9-14(17)19)11-21-16-10-5-4-7-12(16)2/h4-10,15,20H,3,11H2,1-2H3
InChIKeyCURLEYZCBBSGEH-UHFFFAOYSA-N
MW307.41 g/mol
LogP4.72
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine

1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 66097384) has the molecular formula C17H19F2NS and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
PubChem CID66097384
Molecular FormulaC17H19F2NS
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1ccccc1C)c1c(F)cccc1F
InChIInChI=1S/C17H19F2NS/c1-3-20-15(17-13(18)8-6-9-14(17)19)11-21-16-10-5-4-7-12(16)2/h4-10,15,20H,3,11H2,1-2H3
InChIKeyCURLEYZCBBSGEH-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
CID 65143565
1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66098648
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121
2-tert-butylsulfanyl-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 65133111
N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine
CID 79444367
1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 64620085
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 66053094
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 107560383
N-ethyl-2-(2-methylphenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374729
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 106645738
1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79574324
N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine
CID 66097173

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine (CID 66097384) is 1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine is CCNC(CSc1ccccc1C)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is CURLEYZCBBSGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NS/c1-3-20-15(17-13(18)8-6-9-14(17)19)11-21-16-10-5-4-7-12(16)2/h4-10,15,20H,3,11H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine?
1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 307.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66097384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).