2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine

C14H21F2NS — CID 65132740

IUPAC2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine
SMILESCCNC(CSC(C)(C)C)c1cccc(F)c1F
InChIInChI=1S/C14H21F2NS/c1-5-17-12(9-18-14(2,3)4)10-7-6-8-11(15)13(10)16/h6-8,12,17H,5,9H2,1-4H3
InChIKeyHPWWCNUNFLKCSY-UHFFFAOYSA-N
MW273.39 g/mol
LogP4.15
Rot. Bonds5

About 2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine

2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine (PubChem CID 65132740) has the molecular formula C14H21F2NS and a molecular weight of 273.39 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine
PubChem CID65132740
Molecular FormulaC14H21F2NS
Molecular Weight273.39 g/mol
Exact Mass273.14
IUPAC Name2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine
SMILESCCNC(CSC(C)(C)C)c1cccc(F)c1F
InChIInChI=1S/C14H21F2NS/c1-5-17-12(9-18-14(2,3)4)10-7-6-8-11(15)13(10)16/h6-8,12,17H,5,9H2,1-4H3
InChIKeyHPWWCNUNFLKCSY-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfanyl-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 65133111
1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 65128040
2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65133009
1-(2,3-difluorophenyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 115861992
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-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 115861858
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 106645738
2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
CID 63668597
1-(2,3-difluorophenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029849
1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine
CID 104986798
1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine
CID 63988196

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine (CID 65132740) is 2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine is CCNC(CSC(C)(C)C)c1cccc(F)c1F.
What is the InChIKey of 2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine?
The InChIKey is HPWWCNUNFLKCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NS/c1-5-17-12(9-18-14(2,3)4)10-7-6-8-11(15)13(10)16/h6-8,12,17H,5,9H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine?
2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine has a molecular weight of 273.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 65132740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).