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Chemical ID: 7517644
Chemical ID:
7517644
Name [?]:
N-[(3-bromo-4-methoxy-phenyl)methyl]-1-phenyl-ethanamine
SMILES [?]:
CC(c1ccccc1)NCc2ccc(c(c2)Br)OC
InChi [?]:
InChI=1/C16H18BrNO/c1-12(14-6-4-3-5-7-14)18-11-13-8-9-16(19-2)15(17)10-13/h3-10,12,18H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,6,5,7,4,8,12,13,16,10,2,11,3,15,14,17,9,18/E:(4,5)(6,7)/rA:19cCCCCCCCCNCCCCCCCBrOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s15;s14;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18BrNO |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.3005 |
Area: | 485.943 |
Solvation: | -2.84808 |
Coulombic: | -18.7238 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.48 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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