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

C13H21NO2 — CID 27402

IUPAC1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine
SMILESCCc1cc(OC)c(CC(C)N)cc1OC
InChIInChI=1S/C13H21NO2/c1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15-3/h7-9H,5-6,14H2,1-4H3
InChIKeyHXJKWPGVENNMCC-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.16
Rot. Bonds5

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

1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine (PubChem CID 27402) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine
PubChem CID27402
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine
SMILESCCc1cc(OC)c(CC(C)N)cc1OC
InChIInChI=1S/C13H21NO2/c1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15-3/h7-9H,5-6,14H2,1-4H3
InChIKeyHXJKWPGVENNMCC-UHFFFAOYSA-N
XLogP2.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine?
The IUPAC name of 1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine (CID 27402) is 1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine is CCc1cc(OC)c(CC(C)N)cc1OC.
What is the InChIKey of 1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine?
The InChIKey is HXJKWPGVENNMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15-3/h7-9H,5-6,14H2,1-4H3.
What are the key properties of 1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine?
1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 27402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).