4-[(4-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline

C23H26N2 — CID 2843717

IUPAC4-[(4-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline
SMILESCc1cc(C(c2ccccc2)c2cc(C)c(N)c(C)c2)cc(C)c1N
InChIInChI=1S/C23H26N2/c1-14-10-19(11-15(2)22(14)24)21(18-8-6-5-7-9-18)20-12-16(3)23(25)17(4)13-20/h5-13,21H,24-25H2,1-4H3
InChIKeyMADRVTFUZLHYOU-UHFFFAOYSA-N
MW330.48 g/mol
LogP5.26
Rot. Bonds3

About 4-[(4-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline

4-[(4-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline (PubChem CID 2843717) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-[(4-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-[(4-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline
PubChem CID2843717
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name4-[(4-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline
SMILESCc1cc(C(c2ccccc2)c2cc(C)c(N)c(C)c2)cc(C)c1N
InChIInChI=1S/C23H26N2/c1-14-10-19(11-15(2)22(14)24)21(18-8-6-5-7-9-18)20-12-16(3)23(25)17(4)13-20/h5-13,21H,24-25H2,1-4H3
InChIKeyMADRVTFUZLHYOU-UHFFFAOYSA-N
XLogP5.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline?
The IUPAC name of 4-[(4-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline (CID 2843717) is 4-[(4-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-[(4-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline?
The canonical SMILES for 4-[(4-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline is Cc1cc(C(c2ccccc2)c2cc(C)c(N)c(C)c2)cc(C)c1N.
What is the InChIKey of 4-[(4-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline?
The InChIKey is MADRVTFUZLHYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-14-10-19(11-15(2)22(14)24)21(18-8-6-5-7-9-18)20-12-16(3)23(25)17(4)13-20/h5-13,21H,24-25H2,1-4H3.
What are the key properties of 4-[(4-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline?
4-[(4-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline has a molecular weight of 330.48 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylaniline is sourced from PubChem (CID 2843717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).