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Chemical ID: 5558171
Chemical ID:
5558171
Name [?]:
2-methoxy-N-[(2-methoxy-1-naphthyl)methyl]ethanamine
SMILES [?]:
COCCNCc1c2ccccc2ccc1OC
InChi [?]:
InChI=1/C15H19NO2/c1-17-10-9-16-11-14-13-6-4-3-5-12(13)7-8-15(14)18-2/h3-8,16H,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,11,10,12,9,14,15,4,3,6,13,8,7,16,5,2,17/rA:18nCOCCNCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;d7s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.91979 |
Area: | 448.373 |
Solvation: | -4.28955 |
Coulombic: | -24.9697 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 245.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.53 |
LogP (Chemaxon): | 2.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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