1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride

C15H18ClNOS — CID 3080288

IUPAC1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ccccc1Sc1cccc(OC)c1.Cl
InChIInChI=1S/C15H17NOS.ClH/c1-16-11-12-6-3-4-9-15(12)18-14-8-5-7-13(10-14)17-2;/h3-10,16H,11H2,1-2H3;1H
InChIKeySFKLSCMJSFCRBV-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.99
Rot. Bonds5

About 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride

1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride (PubChem CID 3080288) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride
PubChem CID3080288
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ccccc1Sc1cccc(OC)c1.Cl
InChIInChI=1S/C15H17NOS.ClH/c1-16-11-12-6-3-4-9-15(12)18-14-8-5-7-13(10-14)17-2;/h3-10,16H,11H2,1-2H3;1H
InChIKeySFKLSCMJSFCRBV-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride (CID 3080288) is 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride is CNCc1ccccc1Sc1cccc(OC)c1.Cl.
What is the InChIKey of 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride?
The InChIKey is SFKLSCMJSFCRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS.ClH/c1-16-11-12-6-3-4-9-15(12)18-14-8-5-7-13(10-14)17-2;/h3-10,16H,11H2,1-2H3;1H.
What are the key properties of 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride?
1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride has a molecular weight of 295.84 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 3080288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).