1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine

C15H25NO2S — CID 11484024

IUPAC1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine
SMILESCCCSc1cc(OC)c(CC(C)NC)cc1OC
InChIInChI=1S/C15H25NO2S/c1-6-7-19-15-10-13(17-4)12(8-11(2)16-3)9-14(15)18-5/h9-11,16H,6-8H2,1-5H3
InChIKeyQXAMLVSXDQXILL-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.36
Rot. Bonds8

About 1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine

1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine (PubChem CID 11484024) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine
PubChem CID11484024
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine
SMILESCCCSc1cc(OC)c(CC(C)NC)cc1OC
InChIInChI=1S/C15H25NO2S/c1-6-7-19-15-10-13(17-4)12(8-11(2)16-3)9-14(15)18-5/h9-11,16H,6-8H2,1-5H3
InChIKeyQXAMLVSXDQXILL-UHFFFAOYSA-N
XLogP3.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine (CID 11484024) is 1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine is CCCSc1cc(OC)c(CC(C)NC)cc1OC.
What is the InChIKey of 1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine?
The InChIKey is QXAMLVSXDQXILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-6-7-19-15-10-13(17-4)12(8-11(2)16-3)9-14(15)18-5/h9-11,16H,6-8H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine?
1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-propylsulfanylphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 11484024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).