Chemical ID: 7102637

CCOc1cc(cc(c1OCC)Br)CNCCc2ccccc2
Chemical ID:
7102637
Name [?]:
N-[(3-bromo-4,5-diethoxy-phenyl)methyl]-2-phenyl-ethanamine
SMILES [?]:
CCOc1cc(cc(c1OCC)Br)CNCCc2ccccc2
InChi [?]:
InChI=1/C19H24BrNO2/c1-3-22-18-13-16(12-17(20)19(18)23-4-2)14-21-11-10-15-8-6-5-7-9-15/h5-9,12-13,21H,3-4,10-11,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,21,20,22,19,23,17,16,7,5,14,18,6,8,4,9,13,15,3,10/E:(6,7)(8,9)/rA:23nCCOCCCCCCOCCBrCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s8;s6;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24BrNO2
All Atoms:47
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.6105
Area:582.292
Solvation:-3.94675
Coulombic:-26.2647
Bond Count [?]
All:24
Single:18
Double:6
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:378.303
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.61
LogP (Chemaxon):4.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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