4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine

C16H21N3 — CID 73474151

IUPAC4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine
SMILESCCN.Nc1ccc(C=Cc2ccc(N)cc2)cc1
InChIInChI=1S/C14H14N2.C2H7N/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;1-2-3/h1-10H,15-16H2;2-3H2,1H3
InChIKeyHEXYQUPMEHSUAH-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.99
Rot. Bonds2

About 4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine

4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine (PubChem CID 73474151) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine
PubChem CID73474151
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine
SMILESCCN.Nc1ccc(C=Cc2ccc(N)cc2)cc1
InChIInChI=1S/C14H14N2.C2H7N/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;1-2-3/h1-10H,15-16H2;2-3H2,1H3
InChIKeyHEXYQUPMEHSUAH-UHFFFAOYSA-N
XLogP2.99
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine?
The IUPAC name of 4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine (CID 73474151) is 4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine.
What is the SMILES notation for 4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine?
The canonical SMILES for 4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine is CCN.Nc1ccc(C=Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine?
The InChIKey is HEXYQUPMEHSUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.C2H7N/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;1-2-3/h1-10H,15-16H2;2-3H2,1H3.
What are the key properties of 4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine?
4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine has a molecular weight of 255.36 g/mol, XLogP of 2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine is sourced from PubChem (CID 73474151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).