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Chemical ID: 7105861
Chemical ID:
7105861
Name [?]:
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methyl]cyclopropanamine
SMILES [?]:
COc1cc(ccc1OCc2ccccc2F)CNC3CC3
InChi [?]:
InChI=1/C18H20FNO2/c1-21-18-10-13(11-20-15-7-8-15)6-9-17(18)22-12-14-4-2-3-5-16(14)19/h2-6,9-10,15,20H,7-8,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,6,21,22,7,4,18,10,5,11,20,16,8,3,17,19,2,9/E:(7,8)/rA:22nCOCCCCCCOCCCCCCCFCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s5;s18;s19;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20FNO2 |
All Atoms: | 42 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.42421 |
Area: | 525.404 |
Solvation: | -4.7109 |
Coulombic: | -29.2671 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 301.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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