N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline

C22H20N2 — CID 174040434

IUPACN-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline
SMILESC=C(N=CC)Nc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2/c1-3-23-17(2)24-22-15-13-21(14-16-22)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h3-16,24H,2H2,1H3
InChIKeyUAZCGEWWGDGRQC-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.99
Rot. Bonds5

About N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline

N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline (PubChem CID 174040434) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline
PubChem CID174040434
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC NameN-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline
SMILESC=C(N=CC)Nc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2/c1-3-23-17(2)24-22-15-13-21(14-16-22)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h3-16,24H,2H2,1H3
InChIKeyUAZCGEWWGDGRQC-UHFFFAOYSA-N
XLogP5.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline?
The IUPAC name of N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline (CID 174040434) is N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline is C=C(N=CC)Nc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline?
The InChIKey is UAZCGEWWGDGRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-3-23-17(2)24-22-15-13-21(14-16-22)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h3-16,24H,2H2,1H3.
What are the key properties of N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline?
N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline has a molecular weight of 312.42 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 174040434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).