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Chemical ID: 7101788
Chemical ID:
7101788
Name [?]:
N-[(4-benzyloxy-3-methoxy-phenyl)methyl]propan-1-amine
SMILES [?]:
CCCNCc1ccc(c(c1)OC)OCc2ccccc2
InChi [?]:
InChI=1/C18H23NO2/c1-3-11-19-13-16-9-10-17(18(12-16)20-2)21-14-15-7-5-4-6-8-15/h4-10,12,19H,3,11,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,19,18,20,17,21,7,8,3,11,5,15,16,6,9,10,4,12,14/E:(5,6)(7,8)/rA:21nCCCNCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s9;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO2 |
All Atoms: | 44 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48191 |
Area: | 531.434 |
Solvation: | -4.80394 |
Coulombic: | -25.6777 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 285.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.59 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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