4-deuterio-2,6-dimethylaniline

C8H11N — CID 23423519

IUPAC4-deuterio-2,6-dimethylaniline
SMILES[2H]c1cc(C)c(N)c(C)c1
InChIInChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3/i3D
InChIKeyUFFBMTHBGFGIHF-WFVSFCRTSA-N
MW122.19 g/mol
LogP1.89
Rot. Bonds

About 4-deuterio-2,6-dimethylaniline

4-deuterio-2,6-dimethylaniline (PubChem CID 23423519) has the molecular formula C8H11N and a molecular weight of 122.19 g/mol. Its IUPAC name is 4-deuterio-2,6-dimethylaniline.

Molecular Properties

Compound Name4-deuterio-2,6-dimethylaniline
PubChem CID23423519
Molecular FormulaC8H11N
Molecular Weight122.19 g/mol
Exact Mass122.10
IUPAC Name4-deuterio-2,6-dimethylaniline
SMILES[2H]c1cc(C)c(N)c(C)c1
InChIInChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3/i3D
InChIKeyUFFBMTHBGFGIHF-WFVSFCRTSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 51.89
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

dichloroiron;2,6-dimethylaniline
CID 175869472
2,3,6-trimethylaniline
CID 11958947
2,6-dimethylaniline;2-methylaniline
CID 160714609
2-fluoro-3,6-dimethylaniline
CID 67968158
3-methylbenzene-1,2-diamine
CID 162019775
2,6-bis(trideuteriomethyl)aniline
CID 45039069
3,6-dimethylbenzene-1,2-diamine;2,4,6-trimethylbenzene-1,3-diamine
CID 161457493
2,6-bis(trideuteriomethyl)aniline;hydrochloride
CID 163322682
bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride
CID 69109128
cobalt;2,4,6-trimethylaniline
CID 159454360
3-amino-4-methylbenzene-1,2-diol
CID 54091209
methanol;3-methylbenzene-1,2-diamine
CID 174839717

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-2,6-dimethylaniline?
The IUPAC name of 4-deuterio-2,6-dimethylaniline (CID 23423519) is 4-deuterio-2,6-dimethylaniline.
What is the SMILES notation for 4-deuterio-2,6-dimethylaniline?
The canonical SMILES for 4-deuterio-2,6-dimethylaniline is [2H]c1cc(C)c(N)c(C)c1.
What is the InChIKey of 4-deuterio-2,6-dimethylaniline?
The InChIKey is UFFBMTHBGFGIHF-WFVSFCRTSA-N. The full InChI is InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3/i3D.
What are the key properties of 4-deuterio-2,6-dimethylaniline?
4-deuterio-2,6-dimethylaniline has a molecular weight of 122.19 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-2,6-dimethylaniline is sourced from PubChem (CID 23423519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).