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Chemical ID: 6446731
Chemical ID:
6446731
Name [?]:
N-[(5-bromo-2-ethoxy-phenyl)methyl]aniline
SMILES [?]:
CCOc1ccc(cc1CNc2ccccc2)Br
InChi [?]:
InChI=1/C15H16BrNO/c1-2-18-15-9-8-13(16)10-12(15)11-17-14-6-4-3-5-7-14/h3-10,17H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,13,17,6,5,8,10,9,7,12,4,18,11,3/E:(4,5)(6,7)/rA:18nCCOCCCCCCCNCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s7;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16BrNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.15964 |
Area: | 466.313 |
Solvation: | -2.49818 |
Coulombic: | -21.0876 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 306.198 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.51 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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