4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline

C15H16N2 — CID 70074326

IUPAC4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline
SMILESCCc1cccc(/C=C/c2ccc(N)cc2)n1
InChIInChI=1S/C15H16N2/c1-2-14-4-3-5-15(17-14)11-8-12-6-9-13(16)10-7-12/h3-11H,2,16H2,1H3/b11-8+
InChIKeyMTVCWNQVQCZPEV-DHZHZOJOSA-N
MW224.31 g/mol
LogP3.40
Rot. Bonds3

About 4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline

4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline (PubChem CID 70074326) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline
PubChem CID70074326
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline
SMILESCCc1cccc(/C=C/c2ccc(N)cc2)n1
InChIInChI=1S/C15H16N2/c1-2-14-4-3-5-15(17-14)11-8-12-6-9-13(16)10-7-12/h3-11H,2,16H2,1H3/b11-8+
InChIKeyMTVCWNQVQCZPEV-DHZHZOJOSA-N
XLogP3.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline (CID 70074326) is 4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline is CCc1cccc(/C=C/c2ccc(N)cc2)n1.
What is the InChIKey of 4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline?
The InChIKey is MTVCWNQVQCZPEV-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H16N2/c1-2-14-4-3-5-15(17-14)11-8-12-6-9-13(16)10-7-12/h3-11H,2,16H2,1H3/b11-8+.
What are the key properties of 4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline?
4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline has a molecular weight of 224.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(6-ethyl-2-pyridinyl)ethenyl]aniline is sourced from PubChem (CID 70074326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).