2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine

C17H19F2NS — CID 106849015

IUPAC2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
SMILESCCSc1ccc(C(Cc2c(F)cccc2F)NC)cc1
InChIInChI=1S/C17H19F2NS/c1-3-21-13-9-7-12(8-10-13)17(20-2)11-14-15(18)5-4-6-16(14)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyAJRXTWVCUBJYMF-UHFFFAOYSA-N
MW307.41 g/mol
LogP4.58
Rot. Bonds6

About 2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine

2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine (PubChem CID 106849015) has the molecular formula C17H19F2NS and a molecular weight of 307.41 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
PubChem CID106849015
Molecular FormulaC17H19F2NS
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
SMILESCCSc1ccc(C(Cc2c(F)cccc2F)NC)cc1
InChIInChI=1S/C17H19F2NS/c1-3-21-13-9-7-12(8-10-13)17(20-2)11-14-15(18)5-4-6-16(14)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyAJRXTWVCUBJYMF-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
CID 106849054
2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 43484891
1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-difluorophenyl)-N-methylethanamine
CID 114932751
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
CID 105020651
2-(2-chloro-6-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486472
1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine
CID 106848917
4-(4-ethylsulfanylphenyl)-4-(methylamino)butan-2-one
CID 116956055
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
CID 106848898
1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106848941
2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
CID 103214727
1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950118
1-(2-chloro-4,5-difluorophenyl)-2-(2,6-difluorophenyl)-N-methylethanamine
CID 107476197

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine (CID 106849015) is 2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine is CCSc1ccc(C(Cc2c(F)cccc2F)NC)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine?
The InChIKey is AJRXTWVCUBJYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NS/c1-3-21-13-9-7-12(8-10-13)17(20-2)11-14-15(18)5-4-6-16(14)19/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine?
2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine has a molecular weight of 307.41 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine is sourced from PubChem (CID 106849015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).