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Chemical ID: 7113679
Chemical ID:
7113679
Name [?]:
3-[(2-allyloxy-3-ethoxy-phenyl)methylamino]propan-1-ol
SMILES [?]:
CCOc1cccc(c1OCC=C)CNCCCO
InChi [?]:
InChI=1/C15H23NO3/c1-3-11-19-15-13(12-16-9-6-10-17)7-5-8-14(15)18-4-2/h3,5,7-8,16-17H,1,4,6,9-12H2,2H3
InChi Info:
AuxInfo=1/0/N:13,1,12,2,6,17,7,5,16,18,11,14,8,4,9,15,19,3,10/rA:19nCCOCCCCCCOCCCCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s8;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO3 |
All Atoms: | 42 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.54455 |
Area: | 506.648 |
Solvation: | -5.12165 |
Coulombic: | -42.4897 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 265.348 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.78 |
LogP (Chemaxon): | 1.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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