2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine

C16H20N2O — CID 105101378

IUPAC2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
SMILESCCc1ccc(CC(N)c2cccnc2OC)cc1
InChIInChI=1S/C16H20N2O/c1-3-12-6-8-13(9-7-12)11-15(17)14-5-4-10-18-16(14)19-2/h4-10,15H,3,11,17H2,1-2H3
InChIKeySZTDXQYDYIIBDA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.90
Rot. Bonds5

About 2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine

2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine (PubChem CID 105101378) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
PubChem CID105101378
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
SMILESCCc1ccc(CC(N)c2cccnc2OC)cc1
InChIInChI=1S/C16H20N2O/c1-3-12-6-8-13(9-7-12)11-15(17)14-5-4-10-18-16(14)19-2/h4-10,15H,3,11,17H2,1-2H3
InChIKeySZTDXQYDYIIBDA-UHFFFAOYSA-N
XLogP2.90
TPSA48.14 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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine?
The IUPAC name of 2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine (CID 105101378) is 2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine is CCc1ccc(CC(N)c2cccnc2OC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine?
The InChIKey is SZTDXQYDYIIBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-12-6-8-13(9-7-12)11-15(17)14-5-4-10-18-16(14)19-2/h4-10,15H,3,11,17H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine?
2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 105101378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).