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Chemical ID: 6671200
Chemical ID:
6671200
Name [?]:
3-isopropyl-2,6-dimethyl-aniline
SMILES [?]:
Cc1ccc(c(c1N)C)C(C)C
InChi [?]:
InChI=1/C11H17N/c1-7(2)10-6-5-8(3)11(12)9(10)4/h5-7H,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:11,12,1,9,3,4,10,2,6,5,7,8/E:(1,2)/rA:12nCCCCCCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;s10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.68155 |
Area: | 337.799 |
Solvation: | -0.763421 |
Coulombic: | -18.0121 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 163.259 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.06 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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