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Chemical ID: 7108135
Chemical ID:
7108135
Name [?]:
N-[(3-ethoxy-4-methoxy-phenyl)methyl]cyclopropanamine
SMILES [?]:
CCOc1cc(ccc1OC)CNC2CC2
InChi [?]:
InChI=1/C13H19NO2/c1-3-16-13-8-10(4-7-12(13)15-2)9-14-11-5-6-11/h4,7-8,11,14H,3,5-6,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,7,15,16,8,5,12,6,14,9,4,13,10,3/E:(5,6)/rA:16nCCOCCCCCCOCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;s14;s14s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO2 |
All Atoms: | 35 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.46925 |
Area: | 433.747 |
Solvation: | -4.37442 |
Coulombic: | -23.3506 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 221.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.06 |
LogP (Chemaxon): | 1.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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