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Chemical ID: 7106008
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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