2-methoxy-N-(2-phenylsulfanylethyl)ethanamine

C11H17NOS — CID 60721151

IUPAC2-methoxy-N-(2-phenylsulfanylethyl)ethanamine
SMILESCOCCNCCSc1ccccc1
InChIInChI=1S/C11H17NOS/c1-13-9-7-12-8-10-14-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyWZMYOBPFLCTFLM-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.01
Rot. Bonds7

About 2-methoxy-N-(2-phenylsulfanylethyl)ethanamine

2-methoxy-N-(2-phenylsulfanylethyl)ethanamine (PubChem CID 60721151) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-methoxy-N-(2-phenylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(2-phenylsulfanylethyl)ethanamine
PubChem CID60721151
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-methoxy-N-(2-phenylsulfanylethyl)ethanamine
SMILESCOCCNCCSc1ccccc1
InChIInChI=1S/C11H17NOS/c1-13-9-7-12-8-10-14-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyWZMYOBPFLCTFLM-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-(2-phenylsulfanylethyl)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

2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine
CID 103178650
2-phenylsulfanyl-N-[2-[2-(2-phenylsulfanylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 6431756
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-methoxyethanamine
CID 60719628
2-methoxy-N-[2-(4-methylsulfonylphenyl)sulfanylethyl]ethanamine
CID 55174053
3-methylsulfanyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60669246
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-phenylsulfanylbutan-1-amine
CID 79227224
N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 11708797
2-phenyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60664680
2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine
CID 62579262
2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide
CID 114162393
4-bromo-N-(2-phenylsulfanylethyl)butan-1-amine
CID 106844751
2-methoxy-N-[[2-(phenylsulfanylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 65143216

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-phenylsulfanylethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(2-phenylsulfanylethyl)ethanamine (CID 60721151) is 2-methoxy-N-(2-phenylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(2-phenylsulfanylethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(2-phenylsulfanylethyl)ethanamine is COCCNCCSc1ccccc1.
What is the InChIKey of 2-methoxy-N-(2-phenylsulfanylethyl)ethanamine?
The InChIKey is WZMYOBPFLCTFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-13-9-7-12-8-10-14-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3.
What are the key properties of 2-methoxy-N-(2-phenylsulfanylethyl)ethanamine?
2-methoxy-N-(2-phenylsulfanylethyl)ethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-phenylsulfanylethyl)ethanamine is sourced from PubChem (CID 60721151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).