5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine

C16H20N2O — CID 143670067

IUPAC5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine
SMILESCCOc1ccc(-c2ccc(NC)nc2)cc1CC
InChIInChI=1S/C16H20N2O/c1-4-12-10-13(6-8-15(12)19-5-2)14-7-9-16(17-3)18-11-14/h6-11H,4-5H2,1-3H3,(H,17,18)
InChIKeyOOUFXGQAAQEDAU-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.75
Rot. Bonds5

About 5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine

5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine (PubChem CID 143670067) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine
PubChem CID143670067
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine
SMILESCCOc1ccc(-c2ccc(NC)nc2)cc1CC
InChIInChI=1S/C16H20N2O/c1-4-12-10-13(6-8-15(12)19-5-2)14-7-9-16(17-3)18-11-14/h6-11H,4-5H2,1-3H3,(H,17,18)
InChIKeyOOUFXGQAAQEDAU-UHFFFAOYSA-N
XLogP3.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine (CID 143670067) is 5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine is CCOc1ccc(-c2ccc(NC)nc2)cc1CC.
What is the InChIKey of 5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine?
The InChIKey is OOUFXGQAAQEDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-12-10-13(6-8-15(12)19-5-2)14-7-9-16(17-3)18-11-14/h6-11H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine?
5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine has a molecular weight of 256.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 143670067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).