2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride

C13H22ClNO2S — CID 46781343

IUPAC2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride
SMILESCCCSc1cc(OC)c(CCN)cc1OC.Cl
InChIInChI=1S/C13H21NO2S.ClH/c1-4-7-17-13-9-11(15-2)10(5-6-14)8-12(13)16-3;/h8-9H,4-7,14H2,1-3H3;1H
InChIKeyAHZKNSBEESCMGM-UHFFFAOYSA-N
MW291.84 g/mol
LogP3.13
Rot. Bonds7

About 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride

2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride (PubChem CID 46781343) has the molecular formula C13H22ClNO2S and a molecular weight of 291.84 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride
PubChem CID46781343
Molecular FormulaC13H22ClNO2S
Molecular Weight291.84 g/mol
Exact Mass291.11
IUPAC Name2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride
SMILESCCCSc1cc(OC)c(CCN)cc1OC.Cl
InChIInChI=1S/C13H21NO2S.ClH/c1-4-7-17-13-9-11(15-2)10(5-6-14)8-12(13)16-3;/h8-9H,4-7,14H2,1-3H3;1H
InChIKeyAHZKNSBEESCMGM-UHFFFAOYSA-N
XLogP3.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.84
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Dimethoxy-4-(n)-propylthiophenethylamine
CID 24728635
2,5-Dimethoxy-4-ethylthiophenethylamine
CID 12074193
2C-T-4
CID 44350070
2,5-Dimethoxy-4-ethylthioamphetamine
CID 10264356
4-((2-Fluoroethyl)thio)-2,5-dimethoxybenzeneethanamine
CID 44349972
2,5-Dimethoxy-4-methylthiophenethylamine
CID 12315927
2,5-Dimethoxy-4-((cyclopropylmethyl)thio)phenethylamine
CID 44350055
2,5-Dimethoxy-4-methylthioamphetamine
CID 143828
2,5-Dimethoxy-4-propylthioamphetamine
CID 11197521
2C-T-2 Hydrochloride
CID 24820239
AY9Hdq4A2H
CID 11197523
[2-(2,5-Dimethoxy-4-propylsulfanyl-phenyl)-1-methyl-ethyl]-methyl-amine
CID 11484024

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride (CID 46781343) is 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride is CCCSc1cc(OC)c(CCN)cc1OC.Cl.
What is the InChIKey of 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride?
The InChIKey is AHZKNSBEESCMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S.ClH/c1-4-7-17-13-9-11(15-2)10(5-6-14)8-12(13)16-3;/h8-9H,4-7,14H2,1-3H3;1H.
What are the key properties of 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride?
2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride has a molecular weight of 291.84 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 46781343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).