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Chemical ID: 5070007
Chemical ID:
5070007
Name [?]:
1-(2,4,5-trimethylphenyl)ethanamine
SMILES [?]:
Cc1cc(c(cc1C)C(C)N)C
InChi [?]:
InChI=1/C11H17N/c1-7-5-9(3)11(10(4)12)6-8(7)2/h5-6,10H,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,12,10,3,6,2,7,4,9,5,11/rA:12cCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s9;s4;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.57032 |
Area: | 340.218 |
Solvation: | -0.935125 |
Coulombic: | -13.459 |
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: | 2.98 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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