Chemical ID: 7103333

c1cc(cc(c1)OCc2ccc(cc2Cl)Cl)CNCc3ccc4c(c3)OCO4
Chemical ID:
7103333
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-methanamine
SMILES [?]:
c1cc(cc(c1)OCc2ccc(cc2Cl)Cl)CNCc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C22H19Cl2NO3/c23-18-6-5-17(20(24)10-18)13-26-19-3-1-2-15(8-19)11-25-12-16-4-7-21-22(9-16)28-14-27-21/h1-10,25H,11-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,21,10,11,22,4,25,13,17,19,8,27,3,20,9,12,5,14,23,24,16,15,18,7,28,26/rA:28nCCCCCCOCCCCCCCClClCNCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;s3;s17;s18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19Cl2NO3
All Atoms:47
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.2812
Area:658.493
Solvation:-4.18112
Coulombic:-36.1006
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:416.297
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.87
LogP (Chemaxon):5.59

Name Annotations

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Descriptor Annotations

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