Chemical ID: 5034139

c1ccc(cc1)Oc2cccc(c2)N(CCO)CCO
Chemical ID:
5034139
Name [?]:
2-[2-hydroxyethyl-(3-phenoxyphenyl)-amino]ethanol
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)N(CCO)CCO
InChi [?]:
InChI=1/C16H19NO3/c18-11-9-17(10-12-19)14-5-4-8-16(13-14)20-15-6-2-1-3-7-15/h1-8,13,18-19H,9-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,10,11,3,5,9,15,18,16,19,13,12,4,8,14,17,20,7/E:(2,3)(6,7)(9,10)(11,12)(18,19)/rA:20nCCCCCCOCCCCCCNCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;s16;s14;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.14985
Area:468.208
Solvation:-4.55535
Coulombic:-48.3218
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.327
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.29
LogP (Chemaxon):2.85

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