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Chemical ID: 4558006
Chemical ID:
4558006
Name [?]:
2-(2-hydroxyethyl-methyl-amino)-1-phenyl-propan-1-ol
SMILES [?]:
CC(C(c1ccccc1)O)N(C)CCO
InChi [?]:
InChI=1/C12H19NO2/c1-10(13(2)8-9-14)12(15)11-6-4-3-5-7-11/h3-7,10,12,14-15H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,7,6,8,5,9,13,14,2,4,3,11,15,10/E:(4,5)(6,7)/rA:15cCCCCCCCCCONCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s2;s11;s11;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 5.23614 |
Area: | 392.662 |
Solvation: | -4.58042 |
Coulombic: | -38.6897 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 209.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.92 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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