N-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine

C16H26FNS — CID 107750671

IUPACN-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine
SMILESCCCCCSc1cc(C)c(F)cc1C(C)NCC
InChIInChI=1S/C16H26FNS/c1-5-7-8-9-19-16-10-12(3)15(17)11-14(16)13(4)18-6-2/h10-11,13,18H,5-9H2,1-4H3
InChIKeyQLVSKUYEVBPFFZ-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.09
Rot. Bonds8

About N-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine

N-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine (PubChem CID 107750671) 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-pentylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine
PubChem CID107750671
Molecular FormulaC16H26FNS
Molecular Weight283.46 g/mol
Exact Mass283.18
IUPAC NameN-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine
SMILESCCCCCSc1cc(C)c(F)cc1C(C)NCC
InChIInChI=1S/C16H26FNS/c1-5-7-8-9-19-16-10-12(3)15(17)11-14(16)13(4)18-6-2/h10-11,13,18H,5-9H2,1-4H3
InChIKeyQLVSKUYEVBPFFZ-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine
CID 107750762
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
N-ethyl-1-[5-fluoro-2-(3-methoxypropylsulfanyl)phenyl]ethanamine
CID 55260348
5-methyl-1,2,3-tris(tetradecylsulfanyl)benzene
CID 91804113
N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine
CID 107750935
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
1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
CID 107513182
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845535
N-[(2,4-difluoro-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 79725395

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine (CID 107750671) is N-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine is CCCCCSc1cc(C)c(F)cc1C(C)NCC.
What is the InChIKey of N-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine?
The InChIKey is QLVSKUYEVBPFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNS/c1-5-7-8-9-19-16-10-12(3)15(17)11-14(16)13(4)18-6-2/h10-11,13,18H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine?
N-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine has a molecular weight of 283.46 g/mol, XLogP of 5.09, 8 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-pentylsulfanylphenyl)ethanamine is sourced from PubChem (CID 107750671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).