2-ethoxy-4-methyl-3-prop-2-enylaniline

C12H17NO — CID 20792230

IUPAC2-ethoxy-4-methyl-3-prop-2-enylaniline
SMILESC=CCc1c(C)ccc(N)c1OCC
InChIInChI=1S/C12H17NO/c1-4-6-10-9(3)7-8-11(13)12(10)14-5-2/h4,7-8H,1,5-6,13H2,2-3H3
InChIKeyUTSLBECFKWXWIU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.70
Rot. Bonds4

About 2-ethoxy-4-methyl-3-prop-2-enylaniline

2-ethoxy-4-methyl-3-prop-2-enylaniline (PubChem CID 20792230) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-3-prop-2-enylaniline.

Molecular Properties

Compound Name2-ethoxy-4-methyl-3-prop-2-enylaniline
PubChem CID20792230
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-ethoxy-4-methyl-3-prop-2-enylaniline
SMILESC=CCc1c(C)ccc(N)c1OCC
InChIInChI=1S/C12H17NO/c1-4-6-10-9(3)7-8-11(13)12(10)14-5-2/h4,7-8H,1,5-6,13H2,2-3H3
InChIKeyUTSLBECFKWXWIU-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-3-prop-2-enylaniline?
The IUPAC name of 2-ethoxy-4-methyl-3-prop-2-enylaniline (CID 20792230) is 2-ethoxy-4-methyl-3-prop-2-enylaniline.
What is the SMILES notation for 2-ethoxy-4-methyl-3-prop-2-enylaniline?
The canonical SMILES for 2-ethoxy-4-methyl-3-prop-2-enylaniline is C=CCc1c(C)ccc(N)c1OCC.
What is the InChIKey of 2-ethoxy-4-methyl-3-prop-2-enylaniline?
The InChIKey is UTSLBECFKWXWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-6-10-9(3)7-8-11(13)12(10)14-5-2/h4,7-8H,1,5-6,13H2,2-3H3.
What are the key properties of 2-ethoxy-4-methyl-3-prop-2-enylaniline?
2-ethoxy-4-methyl-3-prop-2-enylaniline has a molecular weight of 191.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-3-prop-2-enylaniline is sourced from PubChem (CID 20792230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).