4-[4-(4-prop-2-enylphenyl)phenyl]aniline

C21H19N — CID 123704346

IUPAC4-[4-(4-prop-2-enylphenyl)phenyl]aniline
SMILESC=CCc1ccc(-c2ccc(-c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C21H19N/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h2,4-15H,1,3,22H2
InChIKeyATIRIJINIUIJIW-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.33
Rot. Bonds4

About 4-[4-(4-prop-2-enylphenyl)phenyl]aniline

4-[4-(4-prop-2-enylphenyl)phenyl]aniline (PubChem CID 123704346) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[4-(4-prop-2-enylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-[4-(4-prop-2-enylphenyl)phenyl]aniline
PubChem CID123704346
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name4-[4-(4-prop-2-enylphenyl)phenyl]aniline
SMILESC=CCc1ccc(-c2ccc(-c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C21H19N/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h2,4-15H,1,3,22H2
InChIKeyATIRIJINIUIJIW-UHFFFAOYSA-N
XLogP5.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-Diaminodiphenylmethane
CID 7577
o-Tolidine
CID 8413
2-Naphthylamine
CID 7057
Benzidine
CID 7111
4-Aminobiphenyl
CID 7102
2-Aminoanthracene
CID 11937
2-Aminobiphenyl
CID 7015
Magenta Base
CID 12448
4-Isopropylaniline
CID 7464
Pararosaniline Hydrochloride
CID 11292
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
1-Aminopyrene
CID 15352

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-prop-2-enylphenyl)phenyl]aniline?
The IUPAC name of 4-[4-(4-prop-2-enylphenyl)phenyl]aniline (CID 123704346) is 4-[4-(4-prop-2-enylphenyl)phenyl]aniline.
What is the SMILES notation for 4-[4-(4-prop-2-enylphenyl)phenyl]aniline?
The canonical SMILES for 4-[4-(4-prop-2-enylphenyl)phenyl]aniline is C=CCc1ccc(-c2ccc(-c3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-prop-2-enylphenyl)phenyl]aniline?
The InChIKey is ATIRIJINIUIJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h2,4-15H,1,3,22H2.
What are the key properties of 4-[4-(4-prop-2-enylphenyl)phenyl]aniline?
4-[4-(4-prop-2-enylphenyl)phenyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-prop-2-enylphenyl)phenyl]aniline is sourced from PubChem (CID 123704346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).