Chemical ID: 4286154

Cc1cccc(c1OCC(CNC(C)(C)C)O)C
Chemical ID:
4286154
Name [?]:
1-(2,6-dimethylphenoxy)-3-tert-butylamino-propan-2-ol
SMILES [?]:
Cc1cccc(c1OCC(CNC(C)(C)C)O)C
InChi [?]:
InChI=1/C15H25NO2/c1-11-7-6-8-12(2)14(11)18-10-13(17)9-16-15(3,4)5/h6-8,13,16-17H,9-10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,18,14,15,16,4,3,5,11,9,2,6,10,7,13,12,17,8/E:(1,2)(3,4,5)(7,8)(11,12)/rA:18cCCCCCCCOCCCNCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s10;s6;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H25NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.69106
Area:467.164
Solvation:-3.98803
Coulombic:-33.5063
Bond Count [?]
All:18
Single:15
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:251.365
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.63
LogP (Chemaxon):2.81

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