4-[1-(4-aminophenyl)prop-2-enyl]aniline

C15H16N2 — CID 57031806

IUPAC4-[1-(4-aminophenyl)prop-2-enyl]aniline
SMILESC=CC(c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H16N2/c1-2-15(11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h2-10,15H,1,16-17H2
InChIKeyBHULYRKVJATZFV-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.17
Rot. Bonds3

About 4-[1-(4-aminophenyl)prop-2-enyl]aniline

4-[1-(4-aminophenyl)prop-2-enyl]aniline (PubChem CID 57031806) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[1-(4-aminophenyl)prop-2-enyl]aniline.

Molecular Properties

Compound Name4-[1-(4-aminophenyl)prop-2-enyl]aniline
PubChem CID57031806
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name4-[1-(4-aminophenyl)prop-2-enyl]aniline
SMILESC=CC(c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H16N2/c1-2-15(11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h2-10,15H,1,16-17H2
InChIKeyBHULYRKVJATZFV-UHFFFAOYSA-N
XLogP3.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenyl)prop-2-enyl]aniline?
The IUPAC name of 4-[1-(4-aminophenyl)prop-2-enyl]aniline (CID 57031806) is 4-[1-(4-aminophenyl)prop-2-enyl]aniline.
What is the SMILES notation for 4-[1-(4-aminophenyl)prop-2-enyl]aniline?
The canonical SMILES for 4-[1-(4-aminophenyl)prop-2-enyl]aniline is C=CC(c1ccc(N)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-[1-(4-aminophenyl)prop-2-enyl]aniline?
The InChIKey is BHULYRKVJATZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-2-15(11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h2-10,15H,1,16-17H2.
What are the key properties of 4-[1-(4-aminophenyl)prop-2-enyl]aniline?
4-[1-(4-aminophenyl)prop-2-enyl]aniline has a molecular weight of 224.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenyl)prop-2-enyl]aniline is sourced from PubChem (CID 57031806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).