1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine

C15H18N2O — CID 62298335

IUPAC1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCCc1ccc(Oc2cccc(CNC)n2)cc1
InChIInChI=1S/C15H18N2O/c1-3-12-7-9-14(10-8-12)18-15-6-4-5-13(17-15)11-16-2/h4-10,16H,3,11H2,1-2H3
InChIKeyLGIRDHAFXUBECZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.16
Rot. Bonds5

About 1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine

1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine (PubChem CID 62298335) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
PubChem CID62298335
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCCc1ccc(Oc2cccc(CNC)n2)cc1
InChIInChI=1S/C15H18N2O/c1-3-12-7-9-14(10-8-12)18-15-6-4-5-13(17-15)11-16-2/h4-10,16H,3,11H2,1-2H3
InChIKeyLGIRDHAFXUBECZ-UHFFFAOYSA-N
XLogP3.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine (CID 62298335) is 1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine is CCc1ccc(Oc2cccc(CNC)n2)cc1.
What is the InChIKey of 1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is LGIRDHAFXUBECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-12-7-9-14(10-8-12)18-15-6-4-5-13(17-15)11-16-2/h4-10,16H,3,11H2,1-2H3.
What are the key properties of 1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine?
1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine has a molecular weight of 242.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62298335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).