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Chemical ID: 7101042
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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