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Chemical ID: 6458805
Chemical ID:
6458805
Name [?]:
1-isopropylamino-2-(3-methylphenoxy)-ethanol
SMILES [?]:
Cc1cccc(c1)OCC(NC(C)C)O
InChi [?]:
InChI=1/C12H19NO2/c1-9(2)13-12(14)8-15-11-6-4-5-10(3)7-11/h4-7,9,12-14H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:13,14,1,4,3,5,7,9,12,2,6,10,11,15,8/E:(1,2)/rA:15cCCCCCCCOCCNCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s12;s10;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.40831 |
Area: | 411.286 |
Solvation: | -2.87384 |
Coulombic: | -34.5367 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 209.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.34 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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