Chemical ID: 4733048

Cc1cc(cc(c1N)C)C(C)(C)C
Chemical ID:
4733048
Name [?]:
2,6-dimethyl-4-tert-butyl-aniline
SMILES [?]:
Cc1cc(cc(c1N)C)C(C)(C)C
InChi [?]:
InChI=1/C12H19N/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,9,11,12,13,3,5,2,6,4,7,10,8/E:(1,2)(3,4,5)(6,7)(8,9)/rA:13nCCCCCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s10;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19N
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.191
Area:358.305
Solvation:-0.766628
Coulombic:-18.2211
Bond Count [?]
All:13
Single:10
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:177.286
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.47
LogP (Chemaxon):3.82

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Descriptor Annotations

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