N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine

C16H26FNS — CID 107750762

IUPACN-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1cc(F)c(C)cc1SC(C)C(C)C
InChIInChI=1S/C16H26FNS/c1-7-18-12(5)14-9-15(17)11(4)8-16(14)19-13(6)10(2)3/h8-10,12-13,18H,7H2,1-6H3
InChIKeyNUISMRYEZCOHHY-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.94
Rot. Bonds6

About N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine

N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine (PubChem CID 107750762) has the molecular formula C16H26FNS and a molecular weight of 283.46 g/mol. Its IUPAC name is N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine
PubChem CID107750762
Molecular FormulaC16H26FNS
Molecular Weight283.46 g/mol
Exact Mass283.18
IUPAC NameN-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1cc(F)c(C)cc1SC(C)C(C)C
InChIInChI=1S/C16H26FNS/c1-7-18-12(5)14-9-15(17)11(4)8-16(14)19-13(6)10(2)3/h8-10,12-13,18H,7H2,1-6H3
InChIKeyNUISMRYEZCOHHY-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine
CID 107750671
1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine
CID 81045762
N-[1-[5-fluoro-4-methyl-2-(2-methylbutylsulfanyl)phenyl]ethyl]propan-1-amine
CID 107750819
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 79724625
1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
CID 107513182
N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
CID 43286078
2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline
CID 103339205
2-[[1-(2,5-difluoro-4-methylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol
CID 106251865
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845535
N-[1-[5-bromo-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethyl]propan-1-amine
CID 107750763
N-[(2,4-difluoro-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 79725395
1-[5-bromo-2-(3,4-difluorophenyl)sulfanylphenyl]-N-ethylethanamine
CID 82954533

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine (CID 107750762) is N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine is CCNC(C)c1cc(F)c(C)cc1SC(C)C(C)C.
What is the InChIKey of N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine?
The InChIKey is NUISMRYEZCOHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNS/c1-7-18-12(5)14-9-15(17)11(4)8-16(14)19-13(6)10(2)3/h8-10,12-13,18H,7H2,1-6H3.
What are the key properties of N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine?
N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine has a molecular weight of 283.46 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 107750762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).