1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol

C14H21NO2S — CID 114187570

IUPAC1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol
SMILESC=CCSCCNCC(O)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO2S/c1-3-9-18-10-8-15-11-14(16)12-4-6-13(17-2)7-5-12/h3-7,14-16H,1,8-11H2,2H3
InChIKeyZSBYAFVKUPEKDV-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.24
Rot. Bonds9

About 1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol

1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol (PubChem CID 114187570) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol
PubChem CID114187570
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol
SMILESC=CCSCCNCC(O)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO2S/c1-3-9-18-10-8-15-11-14(16)12-4-6-13(17-2)7-5-12/h3-7,14-16H,1,8-11H2,2H3
InChIKeyZSBYAFVKUPEKDV-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
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

1-(4-methoxyphenyl)-2-(3-methylsulfanylpropylamino)ethanol
CID 60760535
2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate
CID 83209205
1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
CID 60903384
1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 60909806
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-prop-2-enylsulfanylethyl)guanidine
CID 111291501
1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 114093465
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol
CID 142725988
3-methyl-2-phenyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 106425394
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
N-[2-(4-methoxyphenyl)sulfanylethyl]prop-2-en-1-amine
CID 62584288
1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 103901344

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol (CID 114187570) is 1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol is C=CCSCCNCC(O)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol?
The InChIKey is ZSBYAFVKUPEKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-9-18-10-8-15-11-14(16)12-4-6-13(17-2)7-5-12/h3-7,14-16H,1,8-11H2,2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol?
1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol has a molecular weight of 267.39 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol is sourced from PubChem (CID 114187570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).