Chemical ID: 7105888

COCCNCc1ccccc1OCc2ccccc2F
Chemical ID:
7105888
Name [?]:
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxy-ethanamine
SMILES [?]:
COCCNCc1ccccc1OCc2ccccc2F
InChi [?]:
InChI=1/C17H20FNO2/c1-20-11-10-19-12-14-6-3-5-9-17(14)21-13-15-7-2-4-8-16(15)18/h2-9,19H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,9,18,10,8,16,19,11,4,3,6,14,7,15,20,12,21,5,2,13/rA:21nCOCCNCCCCCCCOCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20FNO2
All Atoms:41
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.16659
Area:507.876
Solvation:-4.5303
Coulombic:-30.216
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:289.345
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.13
LogP (Chemaxon):3.07

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Descriptor Annotations

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