Chemical ID: 5229806

CC(C)NCC(COc1ccccc1C2CC2)O
Chemical ID:
5229806
Name [?]:
1-(2-cyclopropylphenoxy)-3-isopropylamino-propan-2-ol
SMILES [?]:
CC(C)NCC(COc1ccccc1C2CC2)O
InChi [?]:
InChI=1/C15H23NO2/c1-11(2)16-9-13(17)10-18-15-6-4-3-5-14(15)12-7-8-12/h3-6,11-13,16-17H,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,11,13,10,16,17,5,7,2,15,6,14,9,4,18,8/E:(1,2)(7,8)/rA:18cCCCNCCCOCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s15s16;s6;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.73405
Area:478.55
Solvation:-4.22971
Coulombic:-33.5724
Bond Count [?]
All:19
Single:16
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:249.349
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.62
LogP (Chemaxon):2.48

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