2,6-bis(2,4,6-trimethylphenyl)aniline

C24H27N — CID 5249705

IUPAC2,6-bis(2,4,6-trimethylphenyl)aniline
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2N)c(C)c1
InChIInChI=1S/C24H27N/c1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25)23-18(5)12-15(2)13-19(23)6/h7-13H,25H2,1-6H3
InChIKeyUDFDFKVPACBXIG-UHFFFAOYSA-N
MW329.49 g/mol
LogP6.45
Rot. Bonds2

About 2,6-bis(2,4,6-trimethylphenyl)aniline

2,6-bis(2,4,6-trimethylphenyl)aniline (PubChem CID 5249705) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 2,6-bis(2,4,6-trimethylphenyl)aniline.

Molecular Properties

Compound Name2,6-bis(2,4,6-trimethylphenyl)aniline
PubChem CID5249705
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name2,6-bis(2,4,6-trimethylphenyl)aniline
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2N)c(C)c1
InChIInChI=1S/C24H27N/c1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25)23-18(5)12-15(2)13-19(23)6/h7-13H,25H2,1-6H3
InChIKeyUDFDFKVPACBXIG-UHFFFAOYSA-N
XLogP6.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,4,6-trimethylphenyl)aniline?
The IUPAC name of 2,6-bis(2,4,6-trimethylphenyl)aniline (CID 5249705) is 2,6-bis(2,4,6-trimethylphenyl)aniline.
What is the SMILES notation for 2,6-bis(2,4,6-trimethylphenyl)aniline?
The canonical SMILES for 2,6-bis(2,4,6-trimethylphenyl)aniline is Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2N)c(C)c1.
What is the InChIKey of 2,6-bis(2,4,6-trimethylphenyl)aniline?
The InChIKey is UDFDFKVPACBXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25)23-18(5)12-15(2)13-19(23)6/h7-13H,25H2,1-6H3.
What are the key properties of 2,6-bis(2,4,6-trimethylphenyl)aniline?
2,6-bis(2,4,6-trimethylphenyl)aniline has a molecular weight of 329.49 g/mol, XLogP of 6.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,4,6-trimethylphenyl)aniline is sourced from PubChem (CID 5249705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).