Chemical ID: 7102775

CCNCc1cc(cc(c1OCC)Br)Br
Chemical ID:
7102775
Name [?]:
N-[(3,5-dibromo-2-ethoxy-phenyl)methyl]ethanamine
SMILES [?]:
CCNCc1cc(cc(c1OCC)Br)Br
InChi [?]:
InChI=1/C11H15Br2NO/c1-3-14-7-8-5-9(12)6-10(13)11(8)15-4-2/h5-6,14H,3-4,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,12,6,8,4,5,7,9,10,15,14,3,11/rA:15nCCNCCCCCCCOCCBrBr/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s9;s7;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15Br2NO
All Atoms:30
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.76817
Area:418.767
Solvation:-1.701
Coulombic:-17.5437
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:337.051
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.89
LogP (Chemaxon):3.59

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