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Chemical ID: 4119522
Chemical ID:
4119522
Name [?]:
1-(3-ethoxyphenyl)-2-methylamino-ethanol
SMILES [?]:
CCOc1cccc(c1)C(CNC)O
InChi [?]:
InChI=1/C11H17NO2/c1-3-14-10-6-4-5-9(7-10)11(13)8-12-2/h4-7,11-13H,3,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,6,7,5,9,11,8,4,10,12,14,3/rA:14cCCOCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.17604 |
Area: | 394.138 |
Solvation: | -3.67742 |
Coulombic: | -33.4175 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 195.258 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.27 |
LogP (Chemaxon): | 1.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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