Chemical ID: 4251396

Cc1cccc(c1C)OCC(CNC(C)(C)CO)O
Chemical ID:
4251396
Name [?]:
2-[3-(2,3-dimethylphenoxy)-2-hydroxy-propyl]amino-2-methyl-propan-1-ol
SMILES [?]:
Cc1cccc(c1C)OCC(CNC(C)(C)CO)O
InChi [?]:
InChI=1/C15H25NO3/c1-11-6-5-7-14(12(11)2)19-9-13(18)8-16-15(3,4)10-17/h5-7,13,16-18H,8-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,15,16,4,3,5,12,10,17,2,7,11,6,14,13,18,19,9/E:(3,4)/rA:19cCCCCCCCCOCCCNCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;s11;s12;s13;s14;s14;s14;s17;s11;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H25NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.01222
Area:489.202
Solvation:-5.21782
Coulombic:-49.8095
Bond Count [?]
All:19
Single:16
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:267.364
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.71
LogP (Chemaxon):2.02

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