Chemical ID: 4314365

Cc1cc(cc(c1)OCCNCCO)C
Chemical ID:
4314365
Name [?]:
2-[2-(3,5-dimethylphenoxy)ethylamino]ethanol
SMILES [?]:
Cc1cc(cc(c1)OCCNCCO)C
InChi [?]:
InChI=1/C12H19NO2/c1-10-7-11(2)9-12(8-10)15-6-4-13-3-5-14/h7-9,13-14H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,12,10,13,9,3,7,5,2,4,6,11,14,8/E:(1,2)(8,9)(10,11)/rA:15nCCCCCCCOCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.63404
Area:421.922
Solvation:-3.914
Coulombic:-32.7617
Bond Count [?]
All:15
Single:12
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:209.285
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.72
LogP (Chemaxon):1.9

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Descriptor Annotations

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