Chemical ID: 7101042

CCNCc1cc(cc(c1OC)Br)Br
Chemical ID:
7101042
Name [?]:
N-[(3,5-dibromo-2-methoxy-phenyl)methyl]ethanamine
SMILES [?]:
CCNCc1cc(cc(c1OC)Br)Br
InChi [?]:
InChI=1/C10H13Br2NO/c1-3-13-6-7-4-8(11)5-9(12)10(7)14-2/h4-5,13H,3,6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,6,8,4,5,7,9,10,14,13,3,11/rA:14nCCNCCCCCCCOCBrBr/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s9;s7;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13Br2NO
All Atoms:27
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.17875
Area:398.543
Solvation:-1.78481
Coulombic:-17.3037
Bond Count [?]
All:14
Single:11
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.024
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.47
LogP (Chemaxon):3.25

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