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Chemical ID: 6474499
Chemical ID:
6474499
Name [?]:
N-[(2-allyloxy-5-bromo-phenyl)methyl]-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCc1cc(ccc1OCC=C)Br
InChi [?]:
InChI=1/C14H20BrNO/c1-5-8-17-13-7-6-12(15)9-11(13)10-16-14(2,3)4/h5-7,9,16H,1,8,10H2,2-4H3
InChi Info:
AuxInfo=1/0/N:16,1,3,4,15,10,11,14,8,6,7,9,12,2,17,5,13/E:(2,3,4)/rA:17nCCCCNCCCCCCCOCCCBr/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;d15;s9;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20BrNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0878 |
Area: | 460.188 |
Solvation: | -2.41689 |
Coulombic: | -18.5918 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 298.219 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.16 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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