2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline

C18H23N — CID 152754160

IUPAC2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline
SMILESCc1cc(C)c(Nc2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C18H23N/c1-11-7-15(5)17(9-13(11)3)19-18-10-14(4)12(2)8-16(18)6/h7-10,19H,1-6H3
InChIKeyWKJOTFDMENFGTC-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.28
Rot. Bonds2

About 2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline

2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline (PubChem CID 152754160) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline
PubChem CID152754160
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline
SMILESCc1cc(C)c(Nc2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C18H23N/c1-11-7-15(5)17(9-13(11)3)19-18-10-14(4)12(2)8-16(18)6/h7-10,19H,1-6H3
InChIKeyWKJOTFDMENFGTC-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,5-trimethyl-N-(2-methylphenyl)aniline
CID 142357624
4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine
CID 115124059
methane;1,2,4,5-tetramethylbenzene
CID 162125793
N-(2,4,5-trimethylphenyl)carbamoyl fluoride
CID 88834231
calcium;1,2,4,5-tetramethylbenzene;dichloride
CID 174947669
ethane;methane;1,2,4,5-tetramethylbenzene
CID 144520627
1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine
CID 143992498
2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126652
1-(methoxysulfinylamino)-2,4,5-trimethylbenzene
CID 22942643
2-hydroxy-N-(2,4,5-trimethylphenyl)propanamide
CID 115140395
2-[(2,4,5-trimethylanilino)methylidene]propanedinitrile
CID 168543102
3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine
CID 115119407

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline?
The IUPAC name of 2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline (CID 152754160) is 2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline.
What is the SMILES notation for 2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline?
The canonical SMILES for 2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline is Cc1cc(C)c(Nc2cc(C)c(C)cc2C)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline?
The InChIKey is WKJOTFDMENFGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-11-7-15(5)17(9-13(11)3)19-18-10-14(4)12(2)8-16(18)6/h7-10,19H,1-6H3.
What are the key properties of 2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline?
2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline is sourced from PubChem (CID 152754160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).