Chemical ID: 5525096

CC(c1ccc(cc1)Cl)OCC(CNCCc2ccc(cc2Cl)Cl)O
Chemical ID:
5525096
Name [?]:
1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
SMILES [?]:
CC(c1ccc(cc1)Cl)OCC(CNCCc2ccc(cc2Cl)Cl)O
InChi [?]:
InChI=1/C19H22Cl3NO2/c1-13(14-2-5-16(20)6-3-14)25-12-18(24)11-23-9-8-15-4-7-17(21)10-19(15)22/h2-7,10,13,18,23-24H,8-9,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,18,5,7,19,16,15,21,13,11,2,3,17,6,20,12,22,9,24,23,14,25,10/E:(2,3)(5,6)/rA:25cCCCCCCCCClOCCCNCCCCCCCCClClO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s2;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s22;s20;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22Cl3NO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:11.5757
Area:656.042
Solvation:-4.82538
Coulombic:-36.5081
Bond Count [?]
All:26
Single:20
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:402.742
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.93
LogP (Chemaxon):5.03

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