Chemical ID: 6458805

Cc1cccc(c1)OCC(NC(C)C)O
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

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