4-(4-aminophenyl)aniline;prop-2-enylbenzene

C21H22N2 — CID 175268611

IUPAC4-(4-aminophenyl)aniline;prop-2-enylbenzene
SMILESC=CCc1ccccc1.Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2.C9H10/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2-6-9-7-4-3-5-8-9/h1-8H,13-14H2;2-5,7-8H,1,6H2
InChIKeyRHRDVUJWWKASNF-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.93
Rot. Bonds3

About 4-(4-aminophenyl)aniline;prop-2-enylbenzene

4-(4-aminophenyl)aniline;prop-2-enylbenzene (PubChem CID 175268611) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-(4-aminophenyl)aniline;prop-2-enylbenzene.

Molecular Properties

Compound Name4-(4-aminophenyl)aniline;prop-2-enylbenzene
PubChem CID175268611
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name4-(4-aminophenyl)aniline;prop-2-enylbenzene
SMILESC=CCc1ccccc1.Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2.C9H10/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2-6-9-7-4-3-5-8-9/h1-8H,13-14H2;2-5,7-8H,1,6H2
InChIKeyRHRDVUJWWKASNF-UHFFFAOYSA-N
XLogP4.93
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-prop-2-enylphenyl)phenyl]aniline
CID 123704346
prop-2-enylbenzene
CID 159998516
prop-2-enylbenzene;dihydrochloride
CID 174768742
phosphane;prop-2-enylbenzene
CID 87328808
CID 173215164
CID 173215164
propan-2-amine;prop-2-enylbenzene
CID 66809896
prop-2-enylbenzene;silicic acid;sulfane
CID 174871791
prop-2-enylbenzene;sulfur trioxide
CID 175109242
bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
chloromethylbenzene;prop-2-enylbenzene
CID 174528909
pentane;prop-2-enylbenzene
CID 90884247

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)aniline;prop-2-enylbenzene?
The IUPAC name of 4-(4-aminophenyl)aniline;prop-2-enylbenzene (CID 175268611) is 4-(4-aminophenyl)aniline;prop-2-enylbenzene.
What is the SMILES notation for 4-(4-aminophenyl)aniline;prop-2-enylbenzene?
The canonical SMILES for 4-(4-aminophenyl)aniline;prop-2-enylbenzene is C=CCc1ccccc1.Nc1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)aniline;prop-2-enylbenzene?
The InChIKey is RHRDVUJWWKASNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C9H10/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2-6-9-7-4-3-5-8-9/h1-8H,13-14H2;2-5,7-8H,1,6H2.
What are the key properties of 4-(4-aminophenyl)aniline;prop-2-enylbenzene?
4-(4-aminophenyl)aniline;prop-2-enylbenzene has a molecular weight of 302.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)aniline;prop-2-enylbenzene is sourced from PubChem (CID 175268611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).