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Chemical ID: 6941074
Chemical ID:
6941074
Name [?]:
2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol
SMILES [?]:
CC(c1cc(ccc1OC)OC)NCCO
InChi [?]:
InChI=1/C12H19NO3/c1-9(13-6-7-14)11-8-10(15-2)4-5-12(11)16-3/h4-5,8-9,13-14H,6-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,6,7,14,15,4,2,5,3,8,13,16,11,9/rA:16cCCCCCCCCOCOCNCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s5;s11;s2;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO3 |
All Atoms: | 35 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.28807 |
Area: | 423.488 |
Solvation: | -5.29913 |
Coulombic: | -39.075 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 225.284 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.18 |
LogP (Chemaxon): | 1.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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