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Chemical ID: 5520829
Chemical ID:
5520829
Name [?]:
2-(2-methyl-2-morpholino-propyl)amino-1-phenyl-ethanol
SMILES [?]:
CC(C)(CNCC(c1ccccc1)O)N2CCOCC2
InChi [?]:
InChI=1/C16H26N2O2/c1-16(2,18-8-10-20-11-9-18)13-17-12-15(19)14-6-4-3-5-7-14/h3-7,15,17,19H,8-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,10,12,9,13,16,20,17,19,6,4,8,7,2,5,15,14,18/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:20cCCCCNCCCCCCCCONCCOCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s7;s2;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.96052 |
Area: | 492.268 |
Solvation: | -4.34617 |
Coulombic: | -39.6826 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 278.39 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.26 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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