2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine

C11H15F2NS — CID 105425622

IUPAC2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine
SMILESCCSc1cccc(C(F)(F)CNC)c1
InChIInChI=1S/C11H15F2NS/c1-3-15-10-6-4-5-9(7-10)11(12,13)8-14-2/h4-7,14H,3,8H2,1-2H3
InChIKeyIGCYFNZICCXPJV-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.11
Rot. Bonds5

About 2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine

2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine (PubChem CID 105425622) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is 2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine
PubChem CID105425622
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC Name2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine
SMILESCCSc1cccc(C(F)(F)CNC)c1
InChIInChI=1S/C11H15F2NS/c1-3-15-10-6-4-5-9(7-10)11(12,13)8-14-2/h4-7,14H,3,8H2,1-2H3
InChIKeyIGCYFNZICCXPJV-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylsulfanylphenyl)-3,3-difluoro-N-methylpropan-1-amine
CID 116838713
2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride
CID 167739763
2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine
CID 105424473
N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine
CID 170424534
3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine
CID 105475062
N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine
CID 163372499
N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]propan-2-amine
CID 60683062
3-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]aniline
CID 79128230
N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine
CID 66349042
N-methyl-1-[3-[2-(trifluoromethoxy)ethylsulfanyl]phenyl]methanamine
CID 66348029
2-(3-bromo-4-propan-2-ylsulfanylphenyl)-2,2-difluoro-N-methylethanamine
CID 105424622
2-methyl-3-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]propan-1-amine
CID 66225210

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of 2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine (CID 105425622) is 2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine is CCSc1cccc(C(F)(F)CNC)c1.
What is the InChIKey of 2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine?
The InChIKey is IGCYFNZICCXPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c1-3-15-10-6-4-5-9(7-10)11(12,13)8-14-2/h4-7,14H,3,8H2,1-2H3.
What are the key properties of 2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine?
2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine has a molecular weight of 231.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 105425622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).