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Chemical ID: 7531400
Chemical ID:
7531400
Name [?]:
1-[2-(2-benzyl-4-methyl-phenoxy)ethylamino]propan-2-ol
SMILES [?]:
Cc1ccc(c(c1)Cc2ccccc2)OCCNCC(C)O
InChi [?]:
InChI=1/C19H25NO2/c1-15-8-9-19(22-11-10-20-14-16(2)21)18(12-15)13-17-6-4-3-5-7-17/h3-9,12,16,20-21H,10-11,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,12,11,13,10,14,3,4,17,16,7,8,19,2,20,9,6,5,18,22,15/E:(4,5)(6,7)/rA:22cCCCCCCCCCCCCCCOCCNCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s5;s15;s16;s17;s18;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25NO2 |
All Atoms: | 47 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.43908 |
Area: | 537.885 |
Solvation: | -4.00804 |
Coulombic: | -35.0438 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.49 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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