4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

C23H24Cl2N2 — CID 2825070

IUPAC4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H24Cl2N2/c1-26(2)19-10-5-16(6-11-19)23(21-14-9-18(24)15-22(21)25)17-7-12-20(13-8-17)27(3)4/h5-15,23H,1-4H3
InChIKeyOWQGLXNOGWDKFS-UHFFFAOYSA-N
MW399.37 g/mol
LogP6.31
Rot. Bonds5

About 4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline (PubChem CID 2825070) has the molecular formula C23H24Cl2N2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
PubChem CID2825070
Molecular FormulaC23H24Cl2N2
Molecular Weight399.37 g/mol
Exact Mass398.13
IUPAC Name4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H24Cl2N2/c1-26(2)19-10-5-16(6-11-19)23(21-14-9-18(24)15-22(21)25)17-7-12-20(13-8-17)27(3)4/h5-15,23H,1-4H3
InChIKeyOWQGLXNOGWDKFS-UHFFFAOYSA-N
XLogP6.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.37
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline (CID 2825070) is 4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline is CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The InChIKey is OWQGLXNOGWDKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2/c1-26(2)19-10-5-16(6-11-19)23(21-14-9-18(24)15-22(21)25)17-7-12-20(13-8-17)27(3)4/h5-15,23H,1-4H3.
What are the key properties of 4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline has a molecular weight of 399.37 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 2825070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).