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Chemical ID: 5069936
Chemical ID:
5069936
Name [?]:
1-(2-methoxy-5-methyl-phenyl)ethanamine
SMILES [?]:
Cc1ccc(c(c1)C(C)N)OC
InChi [?]:
InChI=1/C10H15NO/c1-7-4-5-10(12-3)9(6-7)8(2)11/h4-6,8H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,12,3,4,7,2,8,6,5,10,11/rA:12cCCCCCCCCCNOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s8;s5;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.41105 |
Area: | 336.335 |
Solvation: | -1.99732 |
Coulombic: | -20.6703 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 165.232 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.02 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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