2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine

C18H24N2O — CID 116773800

IUPAC2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine
SMILESCCNC(c1ccc(C)nc1)C(OCC)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-4-19-17(16-12-11-14(3)20-13-16)18(21-5-2)15-9-7-6-8-10-15/h6-13,17-19H,4-5H2,1-3H3
InChIKeyFOINDBAWRRAIKD-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.82
Rot. Bonds7

About 2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine

2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine (PubChem CID 116773800) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine
PubChem CID116773800
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine
SMILESCCNC(c1ccc(C)nc1)C(OCC)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-4-19-17(16-12-11-14(3)20-13-16)18(21-5-2)15-9-7-6-8-10-15/h6-13,17-19H,4-5H2,1-3H3
InChIKeyFOINDBAWRRAIKD-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine?
The IUPAC name of 2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine (CID 116773800) is 2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine is CCNC(c1ccc(C)nc1)C(OCC)c1ccccc1.
What is the InChIKey of 2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine?
The InChIKey is FOINDBAWRRAIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-19-17(16-12-11-14(3)20-13-16)18(21-5-2)15-9-7-6-8-10-15/h6-13,17-19H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine?
2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine is sourced from PubChem (CID 116773800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).