Chemical ID: 4397652

c1ccc(c(c1)OCC(CN(C2CCCCC2)C3CCCCC3)O)Cl
Chemical ID:
4397652
Name [?]:
1-(2-chlorophenoxy)-3-dicyclohexylamino-propan-2-ol
SMILES [?]:
c1ccc(c(c1)OCC(CN(C2CCCCC2)C3CCCCC3)O)Cl
InChi [?]:
InChI=1/C21H32ClNO2/c22-20-13-7-8-14-21(20)25-16-19(24)15-23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h7-8,13-14,17-19,24H,1-6,9-12,15-16H2
InChi Info:
AuxInfo=1/0/N:15,21,14,16,20,22,2,1,13,17,19,23,3,6,10,8,12,18,9,4,5,25,11,24,7/E:(1,2)(3,4,5,6)(9,10,11,12)(17,18)/rA:25cCCCCCCOCCCNCCCCCCCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s21;s18s22;s9;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H32ClNO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.1954
Area:583.631
Solvation:-4.39538
Coulombic:-31.4088
Bond Count [?]
All:27
Single:24
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:365.937
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.4
LogP (Chemaxon):5.09

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