4-(tert-Butyl)-2,6-dimethylaniline

C12H19NCAS 42014-60-8177.29 g/mol

Open in Covalent MOL file
H2N
Primary amine

Properties

Molecular formula
C12H19N
Molar mass
177.29 g/mol
Exact mass
177.1517 Da
logP
3.18Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
42014-60-8
SMILES
CC1=CC(=CC(=C1N)C)C(C)(C)C
InChIKey
CHHGWEBJQVWINZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H19N/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,13H2,1-5H3

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Names and synonyms

1 names
  • 4-tert-Butyl-2,6-dimethylaniline

Work with 4-(tert-Butyl)-2,6-dimethylaniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-(tert-Butyl)-2-iodo-1,3-dimethylbenzene5122-20-358 % similar 2,4,6-Tris(1,1-dimethylethyl)benzenamine961-38-658 % similar 3,3′,5,5′-Tetramethylbenzidine54827-17-754 % similar 2,4,6-Trimethylaniline88-05-152 % similar 4-(1,1-Dimethylethyl)-1,2-dimethylbenzene7397-06-052 % similar 1,3,5-Tri-tert-butylbenzene1460-02-250 % similar 3,5-Bis(1,1-dimethylethyl)benzenamine2380-36-150 % similar 4-Amino-3,5-dimethylphenol3096-70-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diisopropylaniline24544-04-5 4-Hexylaniline33228-45-4 N,N-Bis(1-methylethyl)benzenamine4107-98-6 2-(4-tert-Butylphenyl)ethan-1-amine91552-82-8

Elsewhere

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