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Chemical ID: 7102637
Chemical ID:
7102637
Name [?]:
N-[(3-bromo-4,5-diethoxy-phenyl)methyl]-2-phenyl-ethanamine
SMILES [?]:
CCOc1cc(cc(c1OCC)Br)CNCCc2ccccc2
InChi [?]:
InChI=1/C19H24BrNO2/c1-3-22-18-13-16(12-17(20)19(18)23-4-2)14-21-11-10-15-8-6-5-7-9-15/h5-9,12-13,21H,3-4,10-11,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,21,20,22,19,23,17,16,7,5,14,18,6,8,4,9,13,15,3,10/E:(6,7)(8,9)/rA:23nCCOCCCCCCOCCBrCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s8;s6;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24BrNO2 |
All Atoms: | 47 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6105 |
Area: | 582.292 |
Solvation: | -3.94675 |
Coulombic: | -26.2647 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 378.303 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.61 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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