1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine

C16H17F2NS — CID 65143565

IUPAC1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
SMILESCCNC(CSc1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C16H17F2NS/c1-2-19-15(11-20-12-7-4-3-5-8-12)16-13(17)9-6-10-14(16)18/h3-10,15,19H,2,11H2,1H3
InChIKeyKTUMIAMOCSNZHD-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.41
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine

1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine (PubChem CID 65143565) has the molecular formula C16H17F2NS and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
PubChem CID65143565
Molecular FormulaC16H17F2NS
Molecular Weight293.38 g/mol
Exact Mass293.10
IUPAC Name1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
SMILESCCNC(CSc1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C16H17F2NS/c1-2-19-15(11-20-12-7-4-3-5-8-12)16-13(17)9-6-10-14(16)18/h3-10,15,19H,2,11H2,1H3
InChIKeyKTUMIAMOCSNZHD-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66097384
2-tert-butylsulfanyl-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 65133111
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
CID 105395026
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine
CID 65143289
1-(2,6-difluorophenyl)-N-ethylpentan-1-amine
CID 79405772
1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82822057
1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 83161275
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
1-(cyclohepten-1-yl)-N-ethyl-2-phenylsulfanylethanamine
CID 106653192
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 79697557
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine (CID 65143565) is 1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine is CCNC(CSc1ccccc1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine?
The InChIKey is KTUMIAMOCSNZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NS/c1-2-19-15(11-20-12-7-4-3-5-8-12)16-13(17)9-6-10-14(16)18/h3-10,15,19H,2,11H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine?
1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine has a molecular weight of 293.38 g/mol, XLogP of 4.41, 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-phenylsulfanylethanamine is sourced from PubChem (CID 65143565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).