Chemical ID: 6657654

CNCCc1ccc(c(c1)OC)OCc2ccccc2
Chemical ID:
6657654
Name [?]:
2-(4-benzyloxy-3-methoxy-phenyl)-N-methyl-ethanamine
SMILES [?]:
CNCCc1ccc(c(c1)OC)OCc2ccccc2
InChi [?]:
InChI=1/C17H21NO2/c1-18-11-10-14-8-9-16(17(12-14)19-2)20-13-15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,18,17,19,16,20,6,7,4,3,10,14,5,15,8,9,2,11,13/E:(4,5)(6,7)/rA:20nCNCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.79012
Area:503.792
Solvation:-4.80468
Coulombic:-25.3427
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:271.354
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.96
LogP (Chemaxon):3.09

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Descriptor Annotations

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