Chemical ID: 7105861

COc1cc(ccc1OCc2ccccc2F)CNC3CC3
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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