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

C24H28N2O — CID 59136502

IUPAC4-[(4-amino-3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-2,6-dimethylaniline
SMILESCOc1ccc(C(c2cc(C)c(N)c(C)c2)c2cc(C)c(N)c(C)c2)cc1
InChIInChI=1S/C24H28N2O/c1-14-10-19(11-15(2)23(14)25)22(18-6-8-21(27-5)9-7-18)20-12-16(3)24(26)17(4)13-20/h6-13,22H,25-26H2,1-5H3
InChIKeyQUYSXDHTSYOUGU-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.27
Rot. Bonds4

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

4-[(4-amino-3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-2,6-dimethylaniline (PubChem CID 59136502) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-[(4-amino-3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-[(4-amino-3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-2,6-dimethylaniline
PubChem CID59136502
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name4-[(4-amino-3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-2,6-dimethylaniline
SMILESCOc1ccc(C(c2cc(C)c(N)c(C)c2)c2cc(C)c(N)c(C)c2)cc1
InChIInChI=1S/C24H28N2O/c1-14-10-19(11-15(2)23(14)25)22(18-6-8-21(27-5)9-7-18)20-12-16(3)24(26)17(4)13-20/h6-13,22H,25-26H2,1-5H3
InChIKeyQUYSXDHTSYOUGU-UHFFFAOYSA-N
XLogP5.27
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-(4-methoxyphenyl)methyl]-2,6-dimethylaniline?
The IUPAC name of 4-[(4-amino-3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-2,6-dimethylaniline (CID 59136502) is 4-[(4-amino-3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-[(4-amino-3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-2,6-dimethylaniline?
The canonical SMILES for 4-[(4-amino-3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-2,6-dimethylaniline is COc1ccc(C(c2cc(C)c(N)c(C)c2)c2cc(C)c(N)c(C)c2)cc1.
What is the InChIKey of 4-[(4-amino-3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-2,6-dimethylaniline?
The InChIKey is QUYSXDHTSYOUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-14-10-19(11-15(2)23(14)25)22(18-6-8-21(27-5)9-7-18)20-12-16(3)24(26)17(4)13-20/h6-13,22H,25-26H2,1-5H3.
What are the key properties of 4-[(4-amino-3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-2,6-dimethylaniline?
4-[(4-amino-3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-2,6-dimethylaniline has a molecular weight of 360.50 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-2,6-dimethylaniline is sourced from PubChem (CID 59136502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).