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Chemical ID: 4064751
Chemical ID:
4064751
Name [?]:
1-benzyloxy-3-(methyl-(m-tolyl)amino)-propan-2-ol
SMILES [?]:
Cc1cccc(c1)N(C)CC(COCc2ccccc2)O
InChi [?]:
InChI=1/C18H23NO2/c1-15-7-6-10-17(11-15)19(2)12-18(20)14-21-13-16-8-4-3-5-9-16/h3-11,18,20H,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,18,17,19,4,3,16,20,5,7,10,14,12,2,15,6,11,8,21,13/E:(4,5)(8,9)/rA:21cCCCCCCCNCCCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s8;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.9939 |
Area: | 522.521 |
Solvation: | -5.06912 |
Coulombic: | -32.7339 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 285.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.52 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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