Chemical ID: 7101710

CCNCc1ccc(c(c1)OC)OCc2ccccc2F
Chemical ID:
7101710
Name [?]:
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methyl]ethanamine
SMILES [?]:
CCNCc1ccc(c(c1)OC)OCc2ccccc2F
InChi [?]:
InChI=1/C17H20FNO2/c1-3-19-11-13-8-9-16(17(10-13)20-2)21-12-14-6-4-5-7-15(14)18/h4-10,19H,3,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,17,18,16,19,6,7,10,4,14,5,15,20,8,9,21,3,11,13/rA:21nCCNCCCCCCCOCOCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8;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:8.01238
Area:506.142
Solvation:-4.64116
Coulombic:-29.4495
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:289.345
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.39
LogP (Chemaxon):3.33

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Descriptor Annotations

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