[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride

C15H18ClNO2S — CID 3080305

IUPAC[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride
SMILESCOc1ccc(Sc2ccccc2CN)cc1OC.Cl
InChIInChI=1S/C15H17NO2S.ClH/c1-17-13-8-7-12(9-14(13)18-2)19-15-6-4-3-5-11(15)10-16;/h3-9H,10,16H2,1-2H3;1H
InChIKeyBKPIKQAZHPYFLV-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.74
Rot. Bonds5

About [2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride

[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride (PubChem CID 3080305) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride
PubChem CID3080305
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride
SMILESCOc1ccc(Sc2ccccc2CN)cc1OC.Cl
InChIInChI=1S/C15H17NO2S.ClH/c1-17-13-8-7-12(9-14(13)18-2)19-15-6-4-3-5-11(15)10-16;/h3-9H,10,16H2,1-2H3;1H
InChIKeyBKPIKQAZHPYFLV-UHFFFAOYSA-N
XLogP3.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;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

1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride
CID 53313584
[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528946
1-[2-(4-fluoro-3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
CID 67632592
1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 1044030
2-(3,4-dimethoxyphenyl)sulfanyl-3-methylbutan-1-amine
CID 117035475
2-[(E)-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]guanidine
CID 44572744
2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine
CID 55239501
2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide
CID 142809517
(Z)-but-2-enedioate;[2-(2,4-dimethoxyphenyl)sulfanylphenyl]methanamine
CID 20841319
[3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine
CID 114070340
4-(2-methoxyphenyl)sulfanyl-2-methylaniline
CID 61298004
[3-(2-methoxyphenyl)sulfanylpyridazin-4-yl]methanamine
CID 80514839

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride?
The IUPAC name of [2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride (CID 3080305) is [2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride is COc1ccc(Sc2ccccc2CN)cc1OC.Cl.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride?
The InChIKey is BKPIKQAZHPYFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S.ClH/c1-17-13-8-7-12(9-14(13)18-2)19-15-6-4-3-5-11(15)10-16;/h3-9H,10,16H2,1-2H3;1H.
What are the key properties of [2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride?
[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride has a molecular weight of 311.83 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride is sourced from PubChem (CID 3080305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).