N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine

C18H22FNS — CID 105051078

IUPACN-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1ccccc1SC
InChIInChI=1S/C18H22FNS/c1-4-20-17(16-7-5-6-8-18(16)21-3)12-14-9-10-15(19)11-13(14)2/h5-11,17,20H,4,12H2,1-3H3
InChIKeyBJYYINJCVFDMDR-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.75
Rot. Bonds6

About N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine

N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine (PubChem CID 105051078) has the molecular formula C18H22FNS and a molecular weight of 303.45 g/mol. Its IUPAC name is N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
PubChem CID105051078
Molecular FormulaC18H22FNS
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC NameN-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1ccccc1SC
InChIInChI=1S/C18H22FNS/c1-4-20-17(16-7-5-6-8-18(16)21-3)12-14-9-10-15(19)11-13(14)2/h5-11,17,20H,4,12H2,1-3H3
InChIKeyBJYYINJCVFDMDR-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 106866868
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051314
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
1-(5-chloro-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051262
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
CID 105377069
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050998
N-[2-(4-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 114347863
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377456
2-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 64560633
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925
2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 62196391

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine (CID 105051078) is N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine is CCNC(Cc1ccc(F)cc1C)c1ccccc1SC.
What is the InChIKey of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine?
The InChIKey is BJYYINJCVFDMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNS/c1-4-20-17(16-7-5-6-8-18(16)21-3)12-14-9-10-15(19)11-13(14)2/h5-11,17,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine?
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine has a molecular weight of 303.45 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 105051078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).