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Chemical ID: 6572098
Chemical ID:
6572098
Name [?]:
N-benzyl-1-(2-furyl)-3-methyl-but-3-en-1-amine
SMILES [?]:
CC(=C)CC(c1ccco1)NCc2ccccc2
InChi [?]:
InChI=1/C16H19NO/c1-13(2)11-15(16-9-6-10-18-16)17-12-14-7-4-3-5-8-14/h3-10,15,17H,1,11-12H2,2H3
InChi Info:
AuxInfo=1/0/N:3,1,16,15,17,8,14,18,7,9,4,12,2,13,5,6,11,10/E:(4,5)(7,8)/rA:18cCCCCCCCCCONCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;s6s9;s5;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.38209 |
Area: | 451.431 |
Solvation: | -2.90368 |
Coulombic: | -18.2882 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 241.328 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.09 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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