1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine

C13H21NO2S — CID 10264356

IUPAC1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine
SMILESCCSc1cc(OC)c(CC(C)N)cc1OC
InChIInChI=1S/C13H21NO2S/c1-5-17-13-8-11(15-3)10(6-9(2)14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3
InChIKeyMCYCODJKXUJSAT-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.71
Rot. Bonds6

About 1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine

1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine (PubChem CID 10264356) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine
PubChem CID10264356
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine
SMILESCCSc1cc(OC)c(CC(C)N)cc1OC
InChIInChI=1S/C13H21NO2S/c1-5-17-13-8-11(15-3)10(6-9(2)14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3
InChIKeyMCYCODJKXUJSAT-UHFFFAOYSA-N
XLogP2.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine?
The IUPAC name of 1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine (CID 10264356) is 1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine is CCSc1cc(OC)c(CC(C)N)cc1OC.
What is the InChIKey of 1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine?
The InChIKey is MCYCODJKXUJSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-17-13-8-11(15-3)10(6-9(2)14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3.
What are the key properties of 1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine?
1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine has a molecular weight of 255.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 10264356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).