4-tert-butyl-2,6-dimethylaniline

C12H19N — CID 1229697

IUPAC4-tert-butyl-2,6-dimethylaniline
SMILESCc1cc(C(C)(C)C)cc(C)c1N
InChIInChI=1S/C12H19N/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,13H2,1-5H3
InChIKeyCHHGWEBJQVWINZ-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.18
Rot. Bonds

About 4-tert-butyl-2,6-dimethylaniline

4-tert-butyl-2,6-dimethylaniline (PubChem CID 1229697) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-tert-butyl-2,6-dimethylaniline.

Molecular Properties

Compound Name4-tert-butyl-2,6-dimethylaniline
PubChem CID1229697
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4-tert-butyl-2,6-dimethylaniline
SMILESCc1cc(C(C)(C)C)cc(C)c1N
InChIInChI=1S/C12H19N/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,13H2,1-5H3
InChIKeyCHHGWEBJQVWINZ-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.18
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

o-Tolidine
CID 8413
2,4-Dimethylaniline
CID 7250
2,4,5-Trimethylaniline
CID 8717
2,6-Dimethylaniline
CID 6896
Diisopropylaniline
CID 32484
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
4-Isopropylaniline
CID 7464
2,6-Diethylaniline
CID 11369
2-Ethylaniline
CID 11357
3,3',5,5'-Tetramethylbenzidine
CID 41206
4-Ethylaniline
CID 11504
4-Butylaniline
CID 7694

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-dimethylaniline?
The IUPAC name of 4-tert-butyl-2,6-dimethylaniline (CID 1229697) is 4-tert-butyl-2,6-dimethylaniline.
What is the SMILES notation for 4-tert-butyl-2,6-dimethylaniline?
The canonical SMILES for 4-tert-butyl-2,6-dimethylaniline is Cc1cc(C(C)(C)C)cc(C)c1N.
What is the InChIKey of 4-tert-butyl-2,6-dimethylaniline?
The InChIKey is CHHGWEBJQVWINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,13H2,1-5H3.
What are the key properties of 4-tert-butyl-2,6-dimethylaniline?
4-tert-butyl-2,6-dimethylaniline has a molecular weight of 177.29 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-dimethylaniline is sourced from PubChem (CID 1229697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).