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

C23H23N — CID 150187096

IUPAC4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline
SMILESC=Cc1ccccc1C(c1ccccc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C23H23N/c1-4-18-10-8-9-13-22(18)23(19-11-6-5-7-12-19)20-14-16-21(17-15-20)24(2)3/h4-17,23H,1H2,2-3H3
InChIKeyFMQQIJXVNOMLBW-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.58
Rot. Bonds5

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

4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline (PubChem CID 150187096) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline
PubChem CID150187096
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline
SMILESC=Cc1ccccc1C(c1ccccc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C23H23N/c1-4-18-10-8-9-13-22(18)23(19-11-6-5-7-12-19)20-14-16-21(17-15-20)24(2)3/h4-17,23H,1H2,2-3H3
InChIKeyFMQQIJXVNOMLBW-UHFFFAOYSA-N
XLogP5.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline (CID 150187096) is 4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline is C=Cc1ccccc1C(c1ccccc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline?
The InChIKey is FMQQIJXVNOMLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-4-18-10-8-9-13-22(18)23(19-11-6-5-7-12-19)20-14-16-21(17-15-20)24(2)3/h4-17,23H,1H2,2-3H3.
What are the key properties of 4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline?
4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline has a molecular weight of 313.44 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 150187096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).