Chemical ID: 6941074

CC(c1cc(ccc1OC)OC)NCCO
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

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Descriptor Annotations

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