2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C15H23NS — CID 113473884

IUPAC2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCSCCC1CCc2ccccc2C1NC
InChIInChI=1S/C15H23NS/c1-3-17-11-10-13-9-8-12-6-4-5-7-14(12)15(13)16-2/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyYIDAPJVBMVORQS-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.65
Rot. Bonds5

About 2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 113473884) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID113473884
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCSCCC1CCc2ccccc2C1NC
InChIInChI=1S/C15H23NS/c1-3-17-11-10-13-9-8-12-6-4-5-7-14(12)15(13)16-2/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyYIDAPJVBMVORQS-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.65
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-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79228511
N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83157787
2-[(3,5-dimethylphenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63399923
2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63400274
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
N-methyl-6-(2-propylsulfonylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106727212
2-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10856608
N-methyl-6-(3-methylsulfonylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63191536
N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62126210
N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 112641299
N-methyl-6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 65162668
N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107044649

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 113473884) is 2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCSCCC1CCc2ccccc2C1NC.
What is the InChIKey of 2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YIDAPJVBMVORQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-17-11-10-13-9-8-12-6-4-5-7-14(12)15(13)16-2/h4-7,13,15-16H,3,8-11H2,1-2H3.
What are the key properties of 2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 113473884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).