Chemical ID: 5553546

Cc1c(ccc(c1OC)CNCc2ccc(cc2)Br)OC
Chemical ID:
5553546
Name [?]:
N-[(4-bromophenyl)methyl]-1-(2,4-dimethoxy-3-methyl-phenyl)-methanamine
SMILES [?]:
Cc1c(ccc(c1OC)CNCc2ccc(cc2)Br)OC
InChi [?]:
InChI=1/C17H20BrNO2/c1-12-16(20-2)9-6-14(17(12)21-3)11-19-10-13-4-7-15(18)8-5-13/h4-9,19H,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,9,14,18,5,15,17,4,12,10,2,13,6,16,3,7,19,11,20,8/E:(4,5)(7,8)/rA:21nCCCCCCCOCCNCCCCCCCBrOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;s3;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20BrNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.20691
Area:516.791
Solvation:-3.71287
Coulombic:-25.1707
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:350.25
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.1
LogP (Chemaxon):4.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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