Chemical ID: 7106931

c1ccc(cc1)CNCc2ccccc2OCc3ccc(cc3)F
Chemical ID:
7106931
Name [?]:
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-phenyl-methanamine
SMILES [?]:
c1ccc(cc1)CNCc2ccccc2OCc3ccc(cc3)F
InChi [?]:
InChI=1/C21H20FNO/c22-20-12-10-18(11-13-20)16-24-21-9-5-4-8-19(21)15-23-14-17-6-2-1-3-7-17/h1-13,23H,14-16H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,13,3,5,11,14,19,23,20,22,7,9,17,4,18,10,21,15,24,8,16/E:(2,3)(6,7)(10,11)(12,13)/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;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20FNO
All Atoms:44
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.74902
Area:552.02
Solvation:-4.05148
Coulombic:-23.5649
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

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Descriptor Annotations

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