benzene;4-[4-(ethenylamino)phenyl]aniline

C20H20N2 — CID 174461656

IUPACbenzene;4-[4-(ethenylamino)phenyl]aniline
SMILESC=CNc1ccc(-c2ccc(N)cc2)cc1.c1ccccc1
InChIInChI=1S/C14H14N2.C6H6/c1-2-16-14-9-5-12(6-10-14)11-3-7-13(15)8-4-11;1-2-4-6-5-3-1/h2-10,16H,1,15H2;1-6H
InChIKeyJMGWGCNAHSYSSI-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.18
Rot. Bonds3

About benzene;4-[4-(ethenylamino)phenyl]aniline

benzene;4-[4-(ethenylamino)phenyl]aniline (PubChem CID 174461656) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is benzene;4-[4-(ethenylamino)phenyl]aniline.

Molecular Properties

Compound Namebenzene;4-[4-(ethenylamino)phenyl]aniline
PubChem CID174461656
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Namebenzene;4-[4-(ethenylamino)phenyl]aniline
SMILESC=CNc1ccc(-c2ccc(N)cc2)cc1.c1ccccc1
InChIInChI=1S/C14H14N2.C6H6/c1-2-16-14-9-5-12(6-10-14)11-3-7-13(15)8-4-11;1-2-4-6-5-3-1/h2-10,16H,1,15H2;1-6H
InChIKeyJMGWGCNAHSYSSI-UHFFFAOYSA-N
XLogP5.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.18
H-Bond Donors ≤ 52
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 benzene;4-[4-(ethenylamino)phenyl]aniline?
The IUPAC name of benzene;4-[4-(ethenylamino)phenyl]aniline (CID 174461656) is benzene;4-[4-(ethenylamino)phenyl]aniline.
What is the SMILES notation for benzene;4-[4-(ethenylamino)phenyl]aniline?
The canonical SMILES for benzene;4-[4-(ethenylamino)phenyl]aniline is C=CNc1ccc(-c2ccc(N)cc2)cc1.c1ccccc1.
What is the InChIKey of benzene;4-[4-(ethenylamino)phenyl]aniline?
The InChIKey is JMGWGCNAHSYSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.C6H6/c1-2-16-14-9-5-12(6-10-14)11-3-7-13(15)8-4-11;1-2-4-6-5-3-1/h2-10,16H,1,15H2;1-6H.
What are the key properties of benzene;4-[4-(ethenylamino)phenyl]aniline?
benzene;4-[4-(ethenylamino)phenyl]aniline has a molecular weight of 288.39 g/mol, XLogP of 5.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4-[4-(ethenylamino)phenyl]aniline is sourced from PubChem (CID 174461656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).