2-(5-ethoxy-3-pyridinyl)-5-methylaniline

C14H16N2O — CID 82766535

IUPAC2-(5-ethoxy-3-pyridinyl)-5-methylaniline
SMILESCCOc1cncc(-c2ccc(C)cc2N)c1
InChIInChI=1S/C14H16N2O/c1-3-17-12-7-11(8-16-9-12)13-5-4-10(2)6-14(13)15/h4-9H,3,15H2,1-2H3
InChIKeyPUPPSVLBTFOPIP-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.04
Rot. Bonds3

About 2-(5-ethoxy-3-pyridinyl)-5-methylaniline

2-(5-ethoxy-3-pyridinyl)-5-methylaniline (PubChem CID 82766535) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(5-ethoxy-3-pyridinyl)-5-methylaniline.

Molecular Properties

Compound Name2-(5-ethoxy-3-pyridinyl)-5-methylaniline
PubChem CID82766535
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(5-ethoxy-3-pyridinyl)-5-methylaniline
SMILESCCOc1cncc(-c2ccc(C)cc2N)c1
InChIInChI=1S/C14H16N2O/c1-3-17-12-7-11(8-16-9-12)13-5-4-10(2)6-14(13)15/h4-9H,3,15H2,1-2H3
InChIKeyPUPPSVLBTFOPIP-UHFFFAOYSA-N
XLogP3.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-3-pyridinyl)-5-methylaniline?
The IUPAC name of 2-(5-ethoxy-3-pyridinyl)-5-methylaniline (CID 82766535) is 2-(5-ethoxy-3-pyridinyl)-5-methylaniline.
What is the SMILES notation for 2-(5-ethoxy-3-pyridinyl)-5-methylaniline?
The canonical SMILES for 2-(5-ethoxy-3-pyridinyl)-5-methylaniline is CCOc1cncc(-c2ccc(C)cc2N)c1.
What is the InChIKey of 2-(5-ethoxy-3-pyridinyl)-5-methylaniline?
The InChIKey is PUPPSVLBTFOPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-17-12-7-11(8-16-9-12)13-5-4-10(2)6-14(13)15/h4-9H,3,15H2,1-2H3.
What are the key properties of 2-(5-ethoxy-3-pyridinyl)-5-methylaniline?
2-(5-ethoxy-3-pyridinyl)-5-methylaniline has a molecular weight of 228.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-3-pyridinyl)-5-methylaniline is sourced from PubChem (CID 82766535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).