1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine

C15H23NO2S — CID 103901344

IUPAC1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H23NO2S/c1-5-9-19-10-8-16-12(2)14-7-6-13(17-3)11-15(14)18-4/h5-7,11-12,16H,1,8-10H2,2-4H3
InChIKeyBGQQPAVGVAANRZ-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.27
Rot. Bonds9

About 1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine

1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine (PubChem CID 103901344) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
PubChem CID103901344
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H23NO2S/c1-5-9-19-10-8-16-12(2)14-7-6-13(17-3)11-15(14)18-4/h5-7,11-12,16H,1,8-10H2,2-4H3
InChIKeyBGQQPAVGVAANRZ-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine
CID 113348558
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
3-[1-(2,4-dimethoxyphenyl)ethylamino]propanenitrile
CID 43207694
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776970
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 62328738
2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83211772
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
1-(2,3-difluorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 113352661

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine (CID 103901344) is 1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine is C=CCSCCNC(C)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The InChIKey is BGQQPAVGVAANRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-5-9-19-10-8-16-12(2)14-7-6-13(17-3)11-15(14)18-4/h5-7,11-12,16H,1,8-10H2,2-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine has a molecular weight of 281.42 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine is sourced from PubChem (CID 103901344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).