Chemical ID: 7102510

CCOc1c(cccc1OC)CNCCO
Chemical ID:
7102510
Name [?]:
2-[(2-ethoxy-3-methoxy-phenyl)methylamino]ethanol
SMILES [?]:
CCOc1c(cccc1OC)CNCCO
InChi [?]:
InChI=1/C12H19NO3/c1-3-16-12-10(9-13-7-8-14)5-4-6-11(12)15-2/h4-6,13-14H,3,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,7,6,8,14,15,12,5,9,4,13,16,10,3/rA:16nCCOCCCCCCOCCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s5;s12;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO3
All Atoms:35
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.29236
Area:427.158
Solvation:-5.38659
Coulombic:-39.9474
Bond Count [?]
All:16
Single:13
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:225.284
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.81
LogP (Chemaxon):0.97

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Descriptor Annotations

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