4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline

C17H19N — CID 130274462

IUPAC4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline
SMILESC=Cc1ccccc1Cc1ccc(N(C)C)cc1
InChIInChI=1S/C17H19N/c1-4-15-7-5-6-8-16(15)13-14-9-11-17(12-10-14)18(2)3/h4-12H,1,13H2,2-3H3
InChIKeyMOLXOMMQUWLKAQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.99
Rot. Bonds4

About 4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline

4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline (PubChem CID 130274462) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline
PubChem CID130274462
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline
SMILESC=Cc1ccccc1Cc1ccc(N(C)C)cc1
InChIInChI=1S/C17H19N/c1-4-15-7-5-6-8-16(15)13-14-9-11-17(12-10-14)18(2)3/h4-12H,1,13H2,2-3H3
InChIKeyMOLXOMMQUWLKAQ-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[(2-ethenylphenyl)methyl]benzene
CID 21218414
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene
CID 70469901
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
N-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine
CID 138459298
4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline
CID 150187096
1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene
CID 158873338
1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine
CID 146208765
1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde
CID 11995210
1-(bromomethyl)-2-ethenylbenzene;2-methylprop-1-ene
CID 22617263
1-ethenyl-2-(2-ethylbutyl)benzene
CID 22475782

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline (CID 130274462) is 4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline is C=Cc1ccccc1Cc1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline?
The InChIKey is MOLXOMMQUWLKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-4-15-7-5-6-8-16(15)13-14-9-11-17(12-10-14)18(2)3/h4-12H,1,13H2,2-3H3.
What are the key properties of 4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline?
4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline has a molecular weight of 237.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 130274462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).