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Chemical ID: 4224707
Chemical ID:
4224707
Name [?]:
2-[2-(2-chloro-5-methyl-phenoxy)ethylamino]ethanol
SMILES [?]:
Cc1ccc(c(c1)OCCNCCO)Cl
InChi [?]:
InChI=1/C11H16ClNO2/c1-9-2-3-10(12)11(8-9)15-7-5-13-4-6-14/h2-3,8,13-14H,4-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,10,13,9,7,2,5,6,15,11,14,8/rA:15nCCCCCCCOCCNCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s5;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16ClNO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.7659 |
Area: | 429.949 |
Solvation: | -3.98283 |
Coulombic: | -33.3723 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 229.703 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.9 |
LogP (Chemaxon): | 1.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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