1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C15H16F3NS — CID 106427136

IUPAC1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSC(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C15H16F3NS/c1-11(19-9-10-20-15(16,17)18)13-8-4-6-12-5-2-3-7-14(12)13/h2-8,11,19H,9-10H2,1H3
InChIKeyYFUXMVOSNHXKHW-UHFFFAOYSA-N
MW299.36 g/mol
LogP4.74
Rot. Bonds5

About 1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 106427136) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID106427136
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC Name1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSC(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C15H16F3NS/c1-11(19-9-10-20-15(16,17)18)13-8-4-6-12-5-2-3-7-14(12)13/h2-8,11,19H,9-10H2,1H3
InChIKeyYFUXMVOSNHXKHW-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 54.74
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

1-(2-methylphenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 115710760
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
N-[2-(trifluoromethylsulfanyl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 106426996
N-(1-naphthalen-1-ylethyl)but-3-en-1-amine
CID 115899601
(1S)-1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891288
(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221
1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene
CID 175278434
N-[2-(1-naphthalen-1-ylethylamino)ethyl]methanesulfonamide
CID 43208119
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol
CID 115516053
3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 50993016

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 106427136) is 1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is CC(NCCSC(F)(F)F)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is YFUXMVOSNHXKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-11(19-9-10-20-15(16,17)18)13-8-4-6-12-5-2-3-7-14(12)13/h2-8,11,19H,9-10H2,1H3.
What are the key properties of 1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 299.36 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 106427136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).