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Chemical ID: 6474500
Chemical ID:
6474500
Name [?]:
2-[(2-allyloxyphenyl)methylamino]-2-methyl-propan-1-ol
SMILES [?]:
CC(C)(CO)NCc1ccccc1OCC=C
InChi [?]:
InChI=1/C14H21NO2/c1-4-9-17-13-8-6-5-7-12(13)10-15-14(2,3)11-16/h4-8,15-16H,1,9-11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:17,1,3,16,10,11,9,12,15,7,4,8,13,2,6,5,14/E:(2,3)/rA:17nCCCCONCCCCCCCOCCC/rB:s1;s2;s2;s4;s2;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.71285 |
Area: | 445.576 |
Solvation: | -3.42656 |
Coulombic: | -35.7351 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 235.322 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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