1-(2,5-dimethoxy-4-propylsulfanylphenyl)propan-2-amine

C14H23NO2S — CID 11197521

IUPAC1-(2,5-dimethoxy-4-propylsulfanylphenyl)propan-2-amine
SMILESCCCSc1cc(OC)c(CC(C)N)cc1OC
InChIInChI=1S/C14H23NO2S/c1-5-6-18-14-9-12(16-3)11(7-10(2)15)8-13(14)17-4/h8-10H,5-7,15H2,1-4H3
InChIKeyXHWDHFUBCVWXDZ-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.10
Rot. Bonds7

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

1-(2,5-dimethoxy-4-propylsulfanylphenyl)propan-2-amine (PubChem CID 11197521) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-propylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-propylsulfanylphenyl)propan-2-amine
PubChem CID11197521
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(2,5-dimethoxy-4-propylsulfanylphenyl)propan-2-amine
SMILESCCCSc1cc(OC)c(CC(C)N)cc1OC
InChIInChI=1S/C14H23NO2S/c1-5-6-18-14-9-12(16-3)11(7-10(2)15)8-13(14)17-4/h8-10H,5-7,15H2,1-4H3
InChIKeyXHWDHFUBCVWXDZ-UHFFFAOYSA-N
XLogP3.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.10
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)propan-2-amine?
The IUPAC name of 1-(2,5-dimethoxy-4-propylsulfanylphenyl)propan-2-amine (CID 11197521) is 1-(2,5-dimethoxy-4-propylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,5-dimethoxy-4-propylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1-(2,5-dimethoxy-4-propylsulfanylphenyl)propan-2-amine is CCCSc1cc(OC)c(CC(C)N)cc1OC.
What is the InChIKey of 1-(2,5-dimethoxy-4-propylsulfanylphenyl)propan-2-amine?
The InChIKey is XHWDHFUBCVWXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-6-18-14-9-12(16-3)11(7-10(2)15)8-13(14)17-4/h8-10H,5-7,15H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxy-4-propylsulfanylphenyl)propan-2-amine?
1-(2,5-dimethoxy-4-propylsulfanylphenyl)propan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 3.10, 7 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)propan-2-amine is sourced from PubChem (CID 11197521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).