1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine

C17H21NOS — CID 65142417

IUPAC1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
SMILESCNC(CSc1ccccc1)Cc1ccccc1OC
InChIInChI=1S/C17H21NOS/c1-18-15(13-20-16-9-4-3-5-10-16)12-14-8-6-7-11-17(14)19-2/h3-11,15,18H,12-13H2,1-2H3
InChIKeyQSXDIDVHIYYFGH-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.62
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine

1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine (PubChem CID 65142417) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
PubChem CID65142417
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
SMILESCNC(CSc1ccccc1)Cc1ccccc1OC
InChIInChI=1S/C17H21NOS/c1-18-15(13-20-16-9-4-3-5-10-16)12-14-8-6-7-11-17(14)19-2/h3-11,15,18H,12-13H2,1-2H3
InChIKeyQSXDIDVHIYYFGH-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62692992
1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142108
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142128
1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65143473
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
1-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66070169
1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 102857633
1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine
CID 62601026
1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 62473638
1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 61262537
1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine
CID 66070984
1-methoxy-2-(2-phenylsulfanylethyl)benzene
CID 101404831

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine (CID 65142417) is 1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine is CNC(CSc1ccccc1)Cc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
The InChIKey is QSXDIDVHIYYFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-18-15(13-20-16-9-4-3-5-10-16)12-14-8-6-7-11-17(14)19-2/h3-11,15,18H,12-13H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine has a molecular weight of 287.43 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine is sourced from PubChem (CID 65142417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).