1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine

C12H17F2NS — CID 65128040

IUPAC1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine
SMILESCCNC(CSCC)c1cccc(F)c1F
InChIInChI=1S/C12H17F2NS/c1-3-15-11(8-16-4-2)9-6-5-7-10(13)12(9)14/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyOGSYOAWPABGOTP-UHFFFAOYSA-N
MW245.34 g/mol
LogP3.37
Rot. Bonds6

About 1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine

1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine (PubChem CID 65128040) has the molecular formula C12H17F2NS and a molecular weight of 245.34 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine
PubChem CID65128040
Molecular FormulaC12H17F2NS
Molecular Weight245.34 g/mol
Exact Mass245.10
IUPAC Name1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine
SMILESCCNC(CSCC)c1cccc(F)c1F
InChIInChI=1S/C12H17F2NS/c1-3-15-11(8-16-4-2)9-6-5-7-10(13)12(9)14/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyOGSYOAWPABGOTP-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-ethylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807322
2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine
CID 65132740
N-ethyl-2-(2-methylpropylsulfanyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 65134970
N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128216
1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013124
1-(2,3-difluorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819469
1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine
CID 104986798
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 106645644
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 106645738
2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine
CID 63988403
2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
CID 63668597
[1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
CID 105226770

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine (CID 65128040) is 1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine is CCNC(CSCC)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine?
The InChIKey is OGSYOAWPABGOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NS/c1-3-15-11(8-16-4-2)9-6-5-7-10(13)12(9)14/h5-7,11,15H,3-4,8H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine?
1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine has a molecular weight of 245.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine is sourced from PubChem (CID 65128040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).