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Chemical ID: 5163866
Chemical ID:
5163866
Name [?]:
1-morpholino-3-(p-tolylamino)propan-2-ol
SMILES [?]:
Cc1ccc(cc1)NCC(CN2CCOCC2)O
InChi [?]:
InChI=1/C14H22N2O2/c1-12-2-4-13(5-3-12)15-10-14(17)11-16-6-8-18-9-7-16/h2-5,14-15,17H,6-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,13,17,14,16,9,11,2,5,10,8,12,18,15/E:(2,3)(4,5)(6,7)(8,9)/rA:18cCCCCCCCNCCCNCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s10;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.10085 |
Area: | 461.517 |
Solvation: | -4.43708 |
Coulombic: | -41.4663 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 250.337 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.89 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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