2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline

C24H27NO — CID 71451208

IUPAC2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline
SMILESCc1cc(C)c(Nc2cccc(Oc3c(C)cc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C24H27NO/c1-15-10-17(3)23(18(4)11-15)25-21-8-7-9-22(14-21)26-24-19(5)12-16(2)13-20(24)6/h7-14,25H,1-6H3
InChIKeyKTHJIMFDTRBDDY-UHFFFAOYSA-N
MW345.49 g/mol
LogP7.07
Rot. Bonds4

About 2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline

2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline (PubChem CID 71451208) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline
PubChem CID71451208
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline
SMILESCc1cc(C)c(Nc2cccc(Oc3c(C)cc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C24H27NO/c1-15-10-17(3)23(18(4)11-15)25-21-8-7-9-22(14-21)26-24-19(5)12-16(2)13-20(24)6/h7-14,25H,1-6H3
InChIKeyKTHJIMFDTRBDDY-UHFFFAOYSA-N
XLogP7.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline?
The IUPAC name of 2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline (CID 71451208) is 2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline?
The canonical SMILES for 2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline is Cc1cc(C)c(Nc2cccc(Oc3c(C)cc(C)cc3C)c2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline?
The InChIKey is KTHJIMFDTRBDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-15-10-17(3)23(18(4)11-15)25-21-8-7-9-22(14-21)26-24-19(5)12-16(2)13-20(24)6/h7-14,25H,1-6H3.
What are the key properties of 2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline?
2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline has a molecular weight of 345.49 g/mol, XLogP of 7.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[3-(2,4,6-trimethylphenoxy)phenyl]aniline is sourced from PubChem (CID 71451208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).