Chemical ID: 7042775

Cc1cccc(c1)OCC(CNC(C)c2ccccc2)O
Chemical ID:
7042775
Name [?]:
1-(3-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol
SMILES [?]:
Cc1cccc(c1)OCC(CNC(C)c2ccccc2)O
InChi [?]:
InChI=1/C18H23NO2/c1-14-7-6-10-18(11-14)21-13-17(20)12-19-15(2)16-8-4-3-5-9-16/h3-11,15,17,19-20H,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,18,17,19,4,3,16,20,5,7,11,9,2,13,15,10,6,12,21,8/E:(4,5)(8,9)/rA:21cCCCCCCCOCCCNCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;d15s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23NO2
All Atoms:44
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:8.47718
Area:523.614
Solvation:-4.61316
Coulombic:-34.835
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:285.381
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.55
LogP (Chemaxon):3.7

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