Chemical ID: 7106932

c1ccc(cc1)CNCc2ccccc2OCc3ccccc3F
Chemical ID:
7106932
Name [?]:
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenyl-methanamine
SMILES [?]:
c1ccc(cc1)CNCc2ccccc2OCc3ccccc3F
InChi [?]:
InChI=1/C21H20FNO/c22-20-12-6-4-11-19(20)16-24-21-13-7-5-10-18(21)15-23-14-17-8-2-1-3-9-17/h1-13,23H,14-16H2
InChi Info:
AuxInfo=1/0/N:1,2,6,20,12,21,13,3,5,11,19,22,14,7,9,17,4,10,18,23,15,24,8,16/E:(2,3)(8,9)/rA:24nCCCCCCCNCCCCCCCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20FNO
All Atoms:44
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2177
Area:542.434
Solvation:-3.34316
Coulombic:-24.4756
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.388
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.03
LogP (Chemaxon):5.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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