2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine

C11H17NOS — CID 28918398

IUPAC2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine
SMILESCc1ccc(OCCSCCN)cc1
InChIInChI=1S/C11H17NOS/c1-10-2-4-11(5-3-10)13-7-9-14-8-6-12/h2-5H,6-9,12H2,1H3
InChIKeyLBDCTXRHBSBMJT-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.07
Rot. Bonds6

About 2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine

2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine (PubChem CID 28918398) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine
PubChem CID28918398
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine
SMILESCc1ccc(OCCSCCN)cc1
InChIInChI=1S/C11H17NOS/c1-10-2-4-11(5-3-10)13-7-9-14-8-6-12/h2-5H,6-9,12H2,1H3
InChIKeyLBDCTXRHBSBMJT-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine
CID 28918450
2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]ethanamine
CID 28918465
2-[2-(4-methylphenoxy)ethylsulfanyl]propan-1-amine
CID 66217892
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188
(2S)-2-amino-3-[2-(4-methylphenoxy)ethylsulfanyl]propanoic acid
CID 93031279
2-(4-methylphenoxy)ethyl carbamodithioate
CID 2294136
2-[2-(4-methylphenyl)ethylsulfanyl]ethanamine
CID 94766822
1-methyl-4-(2-phenylsulfanylethoxy)benzene
CID 21280733
2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine
CID 141168996
ethane;1-(2-fluoroethoxy)-4-methylbenzene
CID 142309231
S-[2-(4-methylphenoxy)ethyl] ethanethioate
CID 118201210
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine?
The IUPAC name of 2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine (CID 28918398) is 2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine.
What is the SMILES notation for 2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine?
The canonical SMILES for 2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine is Cc1ccc(OCCSCCN)cc1.
What is the InChIKey of 2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine?
The InChIKey is LBDCTXRHBSBMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-10-2-4-11(5-3-10)13-7-9-14-8-6-12/h2-5H,6-9,12H2,1H3.
What are the key properties of 2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine?
2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine is sourced from PubChem (CID 28918398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).