N-(2,5-dimethylphenyl)-2,4,6-trimethylaniline

C17H21N — CID 54293327

IUPACN-(2,5-dimethylphenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C17H21N/c1-11-6-7-13(3)16(10-11)18-17-14(4)8-12(2)9-15(17)5/h6-10,18H,1-5H3
InChIKeyRZBBTZWGRNBWSS-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.97
Rot. Bonds2

About N-(2,5-dimethylphenyl)-2,4,6-trimethylaniline

N-(2,5-dimethylphenyl)-2,4,6-trimethylaniline (PubChem CID 54293327) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2,4,6-trimethylaniline
PubChem CID54293327
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-(2,5-dimethylphenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C17H21N/c1-11-6-7-13(3)16(10-11)18-17-14(4)8-12(2)9-15(17)5/h6-10,18H,1-5H3
InChIKeyRZBBTZWGRNBWSS-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenz(b,f)azepine
CID 9212
4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
Iminodibenyl
CID 10308
4,4'-Dioctyldiphenylamine
CID 7569
1,2-Dihydro-2,2,4-trimethyl-6-phenylquinoline
CID 77098
N-(3-Methylphenyl)aniline
CID 14569
N-Phenyl-p-toluidine
CID 12109
Santoflex DD
CID 6965
Benzenamine, 4-methyl-N-(4-methylphenyl)-
CID 69293
Benzenamine, 4,4'-methylenebis[N-(1-methylpropyl)-
CID 110640
6,6'-Methylenebis(1,2-dihydro-2,2,4-trimethylquinoline)
CID 99342
(2,4,4-Trimethylpentyl)-N-phenyl-1-naphthylamine
CID 121494093

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2,4,6-trimethylaniline?
The IUPAC name of N-(2,5-dimethylphenyl)-2,4,6-trimethylaniline (CID 54293327) is N-(2,5-dimethylphenyl)-2,4,6-trimethylaniline.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2,4,6-trimethylaniline?
The canonical SMILES for N-(2,5-dimethylphenyl)-2,4,6-trimethylaniline is Cc1cc(C)c(Nc2cc(C)ccc2C)c(C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2,4,6-trimethylaniline?
The InChIKey is RZBBTZWGRNBWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-11-6-7-13(3)16(10-11)18-17-14(4)8-12(2)9-15(17)5/h6-10,18H,1-5H3.
What are the key properties of N-(2,5-dimethylphenyl)-2,4,6-trimethylaniline?
N-(2,5-dimethylphenyl)-2,4,6-trimethylaniline has a molecular weight of 239.36 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2,4,6-trimethylaniline is sourced from PubChem (CID 54293327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).