Chemical ID: 7106008

COCCNCc1cc(ccc1OC)Br
Chemical ID:
7106008
Name [?]:
N-[(5-bromo-2-methoxy-phenyl)methyl]-2-methoxy-ethanamine
SMILES [?]:
COCCNCc1cc(ccc1OC)Br
InChi [?]:
InChI=1/C11H16BrNO2/c1-14-6-5-13-8-9-7-10(12)3-4-11(9)15-2/h3-4,7,13H,5-6,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,10,11,4,3,8,6,7,9,12,15,5,2,13/rA:15nCOCCNCCCCCCCOCBr/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s9;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16BrNO2
All Atoms:31
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.56585
Area:426.415
Solvation:-4.09452
Coulombic:-23.8019
Bond Count [?]
All:15
Single:12
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.154
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.06
LogP (Chemaxon):1.95

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