1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride

C17H22ClNOS — CID 3075830

IUPAC1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1ccccc1Sc1ccc(OC)cc1.Cl
InChIInChI=1S/C17H21NOS.ClH/c1-13(18-2)12-14-6-4-5-7-17(14)20-16-10-8-15(19-3)9-11-16;/h4-11,13,18H,12H2,1-3H3;1H
InChIKeyJUGXPWVKURHMFI-UHFFFAOYSA-N
MW323.89 g/mol
LogP4.42
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride

1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride (PubChem CID 3075830) has the molecular formula C17H22ClNOS and a molecular weight of 323.89 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride
PubChem CID3075830
Molecular FormulaC17H22ClNOS
Molecular Weight323.89 g/mol
Exact Mass323.11
IUPAC Name1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1ccccc1Sc1ccc(OC)cc1.Cl
InChIInChI=1S/C17H21NOS.ClH/c1-13(18-2)12-14-6-4-5-7-17(14)20-16-10-8-15(19-3)9-11-16;/h4-11,13,18H,12H2,1-3H3;1H
InChIKeyJUGXPWVKURHMFI-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride (CID 3075830) is 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride is CNC(C)Cc1ccccc1Sc1ccc(OC)cc1.Cl.
What is the InChIKey of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride?
The InChIKey is JUGXPWVKURHMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS.ClH/c1-13(18-2)12-14-6-4-5-7-17(14)20-16-10-8-15(19-3)9-11-16;/h4-11,13,18H,12H2,1-3H3;1H.
What are the key properties of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride?
1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride has a molecular weight of 323.89 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 3075830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).