1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride

C16H20ClNOS — CID 3075822

IUPAC1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride
SMILESCOc1ccccc1Sc1ccccc1CC(C)N.Cl
InChIInChI=1S/C16H19NOS.ClH/c1-12(17)11-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)18-2;/h3-10,12H,11,17H2,1-2H3;1H
InChIKeyYETUAFIRYGRLFJ-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.16
Rot. Bonds5

About 1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride

1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride (PubChem CID 3075822) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride
PubChem CID3075822
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC Name1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride
SMILESCOc1ccccc1Sc1ccccc1CC(C)N.Cl
InChIInChI=1S/C16H19NOS.ClH/c1-12(17)11-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)18-2;/h3-10,12H,11,17H2,1-2H3;1H
InChIKeyYETUAFIRYGRLFJ-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride?
The IUPAC name of 1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride (CID 3075822) is 1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride is COc1ccccc1Sc1ccccc1CC(C)N.Cl.
What is the InChIKey of 1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride?
The InChIKey is YETUAFIRYGRLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS.ClH/c1-12(17)11-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)18-2;/h3-10,12H,11,17H2,1-2H3;1H.
What are the key properties of 1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride?
1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride has a molecular weight of 309.86 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 3075822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).