N,N-dideuterio-2,4,6-trimethylaniline

C9H13N — CID 138396120

IUPACN,N-dideuterio-2,4,6-trimethylaniline
SMILES[2H]N([2H])c1c(C)cc(C)cc1C
InChIInChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3/i/hD2
InChIKeyKWVPRPSXBZNOHS-ZSJDYOACSA-N
MW137.22 g/mol
LogP2.19
Rot. Bonds1

About N,N-dideuterio-2,4,6-trimethylaniline

N,N-dideuterio-2,4,6-trimethylaniline (PubChem CID 138396120) has the molecular formula C9H13N and a molecular weight of 137.22 g/mol. Its IUPAC name is N,N-dideuterio-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN,N-dideuterio-2,4,6-trimethylaniline
PubChem CID138396120
Molecular FormulaC9H13N
Molecular Weight137.22 g/mol
Exact Mass137.12
IUPAC NameN,N-dideuterio-2,4,6-trimethylaniline
SMILES[2H]N([2H])c1c(C)cc(C)cc1C
InChIInChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3/i/hD2
InChIKeyKWVPRPSXBZNOHS-ZSJDYOACSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cobalt;2,4,6-trimethylaniline
CID 159454360
3,5-dimethylaniline;2,4,6-trimethylaniline
CID 159725455
2,4-dimethyl-6-methylsulfonylaniline
CID 23442810
2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline
CID 18699529
1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane
CID 71427220
1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene
CID 522415
2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane
CID 157177077
2,4-dimethyl-6-thionitrosoaniline
CID 123917345
2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline
CID 143122644
2,4-dimethyl-6-prop-1-en-2-ylaniline
CID 144506945
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
CID 158514008
2,4,6-tritert-butylaniline;2,4,6-trimethylaniline
CID 67732973

Frequently Asked Questions

What is the IUPAC name of N,N-dideuterio-2,4,6-trimethylaniline?
The IUPAC name of N,N-dideuterio-2,4,6-trimethylaniline (CID 138396120) is N,N-dideuterio-2,4,6-trimethylaniline.
What is the SMILES notation for N,N-dideuterio-2,4,6-trimethylaniline?
The canonical SMILES for N,N-dideuterio-2,4,6-trimethylaniline is [2H]N([2H])c1c(C)cc(C)cc1C.
What is the InChIKey of N,N-dideuterio-2,4,6-trimethylaniline?
The InChIKey is KWVPRPSXBZNOHS-ZSJDYOACSA-N. The full InChI is InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3/i/hD2.
What are the key properties of N,N-dideuterio-2,4,6-trimethylaniline?
N,N-dideuterio-2,4,6-trimethylaniline has a molecular weight of 137.22 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dideuterio-2,4,6-trimethylaniline is sourced from PubChem (CID 138396120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).