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Chemical ID: 5832323
Chemical ID:
5832323
Name [?]:
N-[(2,5-dimethoxyphenyl)methyl]-2-methoxy-ethanamine
SMILES [?]:
COCCNCc1cc(ccc1OC)OC
InChi [?]:
InChI=1/C12H19NO3/c1-14-7-6-13-9-10-8-11(15-2)4-5-12(10)16-3/h4-5,8,13H,6-7,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,14,10,11,4,3,8,6,7,9,12,5,2,15,13/rA:16nCOCCNCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s9;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.26409 |
Area: | 432.351 |
Solvation: | -5.54469 |
Coulombic: | -30.0887 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 225.284 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.17 |
LogP (Chemaxon): | 0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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