[3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine

C14H23NO2S — CID 113473255

IUPAC[3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine
SMILESCCOc1cccc(CN)c1OCCCSCC
InChIInChI=1S/C14H23NO2S/c1-3-16-13-8-5-7-12(11-15)14(13)17-9-6-10-18-4-2/h5,7-8H,3-4,6,9-11,15H2,1-2H3
InChIKeyQLVWISMVCJXOLV-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.07
Rot. Bonds9

About [3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine

[3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine (PubChem CID 113473255) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is [3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine
PubChem CID113473255
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name[3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine
SMILESCCOc1cccc(CN)c1OCCCSCC
InChIInChI=1S/C14H23NO2S/c1-3-16-13-8-5-7-12(11-15)14(13)17-9-6-10-18-4-2/h5,7-8H,3-4,6,9-11,15H2,1-2H3
InChIKeyQLVWISMVCJXOLV-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-ethylsulfanylpropoxy)phenyl]methanamine
CID 43530019
5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile
CID 54966365
2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol
CID 61069210
methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
CID 63949294
[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine
CID 60891453
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 43366673
2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine
CID 65095267
[2-[3-(2-methoxyethylsulfanyl)propoxy]phenyl]methanamine
CID 43529834

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine?
The IUPAC name of [3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine (CID 113473255) is [3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine.
What is the SMILES notation for [3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine?
The canonical SMILES for [3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine is CCOc1cccc(CN)c1OCCCSCC.
What is the InChIKey of [3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine?
The InChIKey is QLVWISMVCJXOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-16-13-8-5-7-12(11-15)14(13)17-9-6-10-18-4-2/h5,7-8H,3-4,6,9-11,15H2,1-2H3.
What are the key properties of [3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine?
[3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine has a molecular weight of 269.41 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine is sourced from PubChem (CID 113473255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).