3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline

C23H24Cl2N2 — CID 7103678

IUPAC3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccccc2)c2ccc(N(C)C)cc2Cl)c(Cl)c1
InChIInChI=1S/C23H24Cl2N2/c1-26(2)17-10-12-19(21(24)14-17)23(16-8-6-5-7-9-16)20-13-11-18(27(3)4)15-22(20)25/h5-15,23H,1-4H3
InChIKeyRBVUOBYZRVITSW-UHFFFAOYSA-N
MW399.37 g/mol
LogP6.31
Rot. Bonds5

About 3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline

3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline (PubChem CID 7103678) has the molecular formula C23H24Cl2N2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline
PubChem CID7103678
Molecular FormulaC23H24Cl2N2
Molecular Weight399.37 g/mol
Exact Mass398.13
IUPAC Name3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccccc2)c2ccc(N(C)C)cc2Cl)c(Cl)c1
InChIInChI=1S/C23H24Cl2N2/c1-26(2)17-10-12-19(21(24)14-17)23(16-8-6-5-7-9-16)20-13-11-18(27(3)4)15-22(20)25/h5-15,23H,1-4H3
InChIKeyRBVUOBYZRVITSW-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 3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline?
The IUPAC name of 3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline (CID 7103678) is 3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline is CN(C)c1ccc(C(c2ccccc2)c2ccc(N(C)C)cc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline?
The InChIKey is RBVUOBYZRVITSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2/c1-26(2)17-10-12-19(21(24)14-17)23(16-8-6-5-7-9-16)20-13-11-18(27(3)4)15-22(20)25/h5-15,23H,1-4H3.
What are the key properties of 3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline?
3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-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 3-chloro-4-[[2-chloro-4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 7103678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).