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Chemical ID: 7100895
Chemical ID:
7100895
Name [?]:
1-(4-allyloxyphenyl)-N-benzyl-methanamine
SMILES [?]:
C=CCOc1ccc(cc1)CNCc2ccccc2
InChi [?]:
InChI=1/C17H19NO/c1-2-12-19-17-10-8-16(9-11-17)14-18-13-15-6-4-3-5-7-15/h2-11,18H,1,12-14H2
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,15,19,7,9,6,10,3,13,11,14,8,5,12,4/E:(4,5)(6,7)(8,9)(10,11)/rA:19nCCCOCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO |
All Atoms: | 38 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47759 |
Area: | 491.381 |
Solvation: | -2.80694 |
Coulombic: | -20.4708 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 253.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.77 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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