3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline

C17H21NO — CID 167658948

IUPAC3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline
SMILESCc1cc(C)c(Oc2c(C)cc(N)cc2C)c(C)c1
InChIInChI=1S/C17H21NO/c1-10-6-11(2)16(12(3)7-10)19-17-13(4)8-15(18)9-14(17)5/h6-9H,18H2,1-5H3
InChIKeyFGHXLVYGEHSCFF-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.60
Rot. Bonds2

About 3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline

3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline (PubChem CID 167658948) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline.

Molecular Properties

Compound Name3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline
PubChem CID167658948
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline
SMILESCc1cc(C)c(Oc2c(C)cc(N)cc2C)c(C)c1
InChIInChI=1S/C17H21NO/c1-10-6-11(2)16(12(3)7-10)19-17-13(4)8-15(18)9-14(17)5/h6-9H,18H2,1-5H3
InChIKeyFGHXLVYGEHSCFF-UHFFFAOYSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethylaniline;2,4,6-trimethylaniline
CID 159725455
4-(4-fluorophenoxy)-3,5-dimethylaniline
CID 91671802
2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine
CID 67697104
3,5-dimethylaniline;hydrofluoride
CID 158073989
1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene
CID 166826298
3,5-dimethyl-4-pyridin-2-yloxyaniline
CID 129016357
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
CID 91665368
cobalt;2,4,6-trimethylaniline
CID 159454360
3,5-dibromo-4-[(2,4,6-trimethylphenyl)methoxy]aniline
CID 63404158
4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline
CID 144504905
4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline
CID 61218955

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline?
The IUPAC name of 3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline (CID 167658948) is 3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline.
What is the SMILES notation for 3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline?
The canonical SMILES for 3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline is Cc1cc(C)c(Oc2c(C)cc(N)cc2C)c(C)c1.
What is the InChIKey of 3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline?
The InChIKey is FGHXLVYGEHSCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-10-6-11(2)16(12(3)7-10)19-17-13(4)8-15(18)9-14(17)5/h6-9H,18H2,1-5H3.
What are the key properties of 3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline?
3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline has a molecular weight of 255.36 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline is sourced from PubChem (CID 167658948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).