2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine

C14H23NO2S — CID 64612378

IUPAC2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CSCCOC)cc1
InChIInChI=1S/C14H23NO2S/c1-3-8-17-13-6-4-12(5-7-13)14(15)11-18-10-9-16-2/h4-7,14H,3,8-11,15H2,1-2H3
InChIKeyCYTKDGJTJHUODA-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.85
Rot. Bonds9

About 2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine

2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine (PubChem CID 64612378) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
PubChem CID64612378
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CSCCOC)cc1
InChIInChI=1S/C14H23NO2S/c1-3-8-17-13-6-4-12(5-7-13)14(15)11-18-10-9-16-2/h4-7,14H,3,8-11,15H2,1-2H3
InChIKeyCYTKDGJTJHUODA-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613252
2-(2-methoxyethylsulfanyl)-1-(4-methylphenyl)ethanamine
CID 64609924
3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66102558
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
CID 64627665
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64609270
1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64628453
2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine
CID 64647290
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propoxyphenyl)ethanamine
CID 64650253
N-[1-(4-ethoxyphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine
CID 64613678

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine (CID 64612378) is 2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)CSCCOC)cc1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is CYTKDGJTJHUODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-8-17-13-6-4-12(5-7-13)14(15)11-18-10-9-16-2/h4-7,14H,3,8-11,15H2,1-2H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine?
2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 64612378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).