1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride

C17H22ClNO2S — CID 3080287

IUPAC1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCOc1ccc(Sc2ccccc2CN(C)C)cc1OC.Cl
InChIInChI=1S/C17H21NO2S.ClH/c1-18(2)12-13-7-5-6-8-17(13)21-14-9-10-15(19-3)16(11-14)20-4;/h5-11H,12H2,1-4H3;1H
InChIKeyXQLYIWQCQGHYTQ-UHFFFAOYSA-N
MW339.89 g/mol
LogP4.34
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride

1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 3080287) has the molecular formula C17H22ClNO2S and a molecular weight of 339.89 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID3080287
Molecular FormulaC17H22ClNO2S
Molecular Weight339.89 g/mol
Exact Mass339.11
IUPAC Name1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCOc1ccc(Sc2ccccc2CN(C)C)cc1OC.Cl
InChIInChI=1S/C17H21NO2S.ClH/c1-18(2)12-13-7-5-6-8-17(13)21-14-9-10-15(19-3)16(11-14)20-4;/h5-11H,12H2,1-4H3;1H
InChIKeyXQLYIWQCQGHYTQ-UHFFFAOYSA-N
XLogP4.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzenemethanamine, N,N-dimethyl-2-((3-methoxyphenyl)thio)-, hydrochloride
CID 3080282
Benzenemethanamine, 2-((4-methoxyphenyl)thio)-N-methyl-, hydrochloride
CID 3080290
2-[(1-Benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-1-benzothiophene 1,1-dioxide
CID 168281187
1-benzyl-4-[(Z)-2-chloro-2-(3,4-dimethoxyphenyl)sulfonylethenyl]piperidine
CID 168297045
1-benzyl-4-[(E)-2-(3,4-dimethoxyphenyl)sulfonylethenyl]piperidine
CID 168297974
Pyrrolidine, 1-[[4-[(4-methoxyphenyl)thio]phenyl]methyl]-
CID 11771014
Benzenemethanamine, N-methyl-N-(2-((2,3,4-trimethoxyphenyl)sulfonyl)ethyl)-
CID 113617
(Z)-but-2-enedioic acid;1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine
CID 11948846
1-benzyl-4-[(E)-2-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyethenyl]piperidine
CID 168271975
Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2,3-dimethoxy-N-methyl-, hydrochloride
CID 43516
Benzeneethanamine, 2-((3,4-dimethoxyphenyl)thio)-alpha-methyl-, hydrochloride
CID 3075826
Benzeneethanamine, 2-((3,4-dimethoxyphenyl)thio)-N,N,alpha-trimethyl-, ethanedioate (1:1)
CID 3075838

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (CID 3080287) is 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is COc1ccc(Sc2ccccc2CN(C)C)cc1OC.Cl.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is XQLYIWQCQGHYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S.ClH/c1-18(2)12-13-7-5-6-8-17(13)21-14-9-10-15(19-3)16(11-14)20-4;/h5-11H,12H2,1-4H3;1H.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 339.89 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 3080287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).