2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine

C13H19NS — CID 63772452

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine
SMILESNCCSCC1CCCc2ccccc21
InChIInChI=1S/C13H19NS/c14-8-9-15-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-2,4,7,12H,3,5-6,8-10,14H2
InChIKeyNENAGPXMHZGTBP-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.80
Rot. Bonds4

About 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine

2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine (PubChem CID 63772452) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine
PubChem CID63772452
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine
SMILESNCCSCC1CCCc2ccccc21
InChIInChI=1S/C13H19NS/c14-8-9-15-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-2,4,7,12H,3,5-6,8-10,14H2
InChIKeyNENAGPXMHZGTBP-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)butan-2-amine
CID 66233726
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 107773515
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
N'-(2-aminoethyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55242274
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine
CID 79221485
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine
CID 81010954
4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)aniline
CID 79147734
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine
CID 63772799

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine (CID 63772452) is 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine is NCCSCC1CCCc2ccccc21.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine?
The InChIKey is NENAGPXMHZGTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c14-8-9-15-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-2,4,7,12H,3,5-6,8-10,14H2.
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine?
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine has a molecular weight of 221.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 63772452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).