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Chemical ID: 4251396
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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