[2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride

C14H16ClNOS — CID 3080298

IUPAC[2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride
SMILESCOc1cccc(Sc2ccccc2CN)c1.Cl
InChIInChI=1S/C14H15NOS.ClH/c1-16-12-6-4-7-13(9-12)17-14-8-3-2-5-11(14)10-15;/h2-9H,10,15H2,1H3;1H
InChIKeyAPKPZSKAZRMYIV-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.73
Rot. Bonds4

About [2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride

[2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride (PubChem CID 3080298) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride
PubChem CID3080298
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name[2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride
SMILESCOc1cccc(Sc2ccccc2CN)c1.Cl
InChIInChI=1S/C14H15NOS.ClH/c1-16-12-6-4-7-13(9-12)17-14-8-3-2-5-11(14)10-15;/h2-9H,10,15H2,1H3;1H
InChIKeyAPKPZSKAZRMYIV-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride?
The IUPAC name of [2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride (CID 3080298) is [2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride?
The canonical SMILES for [2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride is COc1cccc(Sc2ccccc2CN)c1.Cl.
What is the InChIKey of [2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride?
The InChIKey is APKPZSKAZRMYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS.ClH/c1-16-12-6-4-7-13(9-12)17-14-8-3-2-5-11(14)10-15;/h2-9H,10,15H2,1H3;1H.
What are the key properties of [2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride?
[2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride has a molecular weight of 281.81 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride is sourced from PubChem (CID 3080298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).