4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline

C22H24N2 — CID 71091427

IUPAC4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline
SMILESCNc1ccc(C(c2ccccc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C22H24N2/c1-23-20-13-9-18(10-14-20)22(17-7-5-4-6-8-17)19-11-15-21(16-12-19)24(2)3/h4-16,22-23H,1-3H3
InChIKeyMCEWFWVFARJELO-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.97
Rot. Bonds5

About 4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline

4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline (PubChem CID 71091427) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline
PubChem CID71091427
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline
SMILESCNc1ccc(C(c2ccccc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C22H24N2/c1-23-20-13-9-18(10-14-20)22(17-7-5-4-6-8-17)19-11-15-21(16-12-19)24(2)3/h4-16,22-23H,1-3H3
InChIKeyMCEWFWVFARJELO-UHFFFAOYSA-N
XLogP4.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
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-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline (CID 71091427) is 4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline is CNc1ccc(C(c2ccccc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline?
The InChIKey is MCEWFWVFARJELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-23-20-13-9-18(10-14-20)22(17-7-5-4-6-8-17)19-11-15-21(16-12-19)24(2)3/h4-16,22-23H,1-3H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline?
4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline has a molecular weight of 316.45 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N-methylaniline is sourced from PubChem (CID 71091427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).