Chemical ID: 7103289

c1ccc(cc1)COc2ccccc2CNCc3ccc4c(c3)OCO4
Chemical ID:
7103289
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-1-(2-benzyloxyphenyl)-methanamine
SMILES [?]:
c1ccc(cc1)COc2ccccc2CNCc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C22H21NO3/c1-2-6-17(7-3-1)15-24-20-9-5-4-8-19(20)14-23-13-18-10-11-21-22(12-18)26-16-25-21/h1-12,23H,13-16H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,3,5,13,10,19,20,23,17,15,7,25,4,18,14,9,21,22,16,8,26,24/E:(2,3)(6,7)/rA:26nCCCCCCCOCCCCCCCNCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO3
All Atoms:47
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2709
Area:584.059
Solvation:-4.33053
Coulombic:-36.0585
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:347.407
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.63
LogP (Chemaxon):4.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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