4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline

C18H20N2 — CID 57303024

IUPAC4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline
SMILESC=Cc1ccc(N(C)C)cc1/N=C/Cc1ccccc1
InChIInChI=1S/C18H20N2/c1-4-16-10-11-17(20(2)3)14-18(16)19-13-12-15-8-6-5-7-9-15/h4-11,13-14H,1,12H2,2-3H3/b19-13+
InChIKeyPQZZUURXTHJXSY-CPNJWEJPSA-N
MW264.37 g/mol
LogP4.34
Rot. Bonds5

About 4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline

4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline (PubChem CID 57303024) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline.

Molecular Properties

Compound Name4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline
PubChem CID57303024
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline
SMILESC=Cc1ccc(N(C)C)cc1/N=C/Cc1ccccc1
InChIInChI=1S/C18H20N2/c1-4-16-10-11-17(20(2)3)14-18(16)19-13-12-15-8-6-5-7-9-15/h4-11,13-14H,1,12H2,2-3H3/b19-13+
InChIKeyPQZZUURXTHJXSY-CPNJWEJPSA-N
XLogP4.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethenyl-3-(2-phenylethylideneamino)aniline
CID 91308422
3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline
CID 102247917
4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine
CID 154137227
N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline
CID 130274462
4-ethenyl-N,N-dimethyl-3-prop-1-en-2-ylaniline
CID 170071435
N-[3,4-bis(ethenyl)phenyl]-N-methylnaphthalen-2-amine
CID 143975290
3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline
CID 21116999
4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine
CID 2473929
prop-2-enylbenzene
CID 159998516
4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline
CID 150187096
N-(4-ethenylphenyl)-3-ethyl-N-methylaniline
CID 118311414

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline?
The IUPAC name of 4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline (CID 57303024) is 4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline.
What is the SMILES notation for 4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline?
The canonical SMILES for 4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline is C=Cc1ccc(N(C)C)cc1/N=C/Cc1ccccc1.
What is the InChIKey of 4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline?
The InChIKey is PQZZUURXTHJXSY-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H20N2/c1-4-16-10-11-17(20(2)3)14-18(16)19-13-12-15-8-6-5-7-9-15/h4-11,13-14H,1,12H2,2-3H3/b19-13+.
What are the key properties of 4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline?
4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline has a molecular weight of 264.37 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline is sourced from PubChem (CID 57303024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).