Chemical ID: 6212709

CC(C)c1ccccc1OCC(CNC(C)(C)C)O
Chemical ID:
6212709
Name [?]:
1-(2-isopropylphenoxy)-3-tert-butylamino-propan-2-ol
SMILES [?]:
CC(C)c1ccccc1OCC(CNC(C)(C)C)O
InChi [?]:
InChI=1/C16H27NO2/c1-12(2)14-8-6-7-9-15(14)19-11-13(18)10-17-16(3,4)5/h6-9,12-13,17-18H,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,16,17,18,6,7,5,8,13,11,2,12,4,9,15,14,19,10/E:(1,2)(3,4,5)/rA:19cCCCCCCCCCOCCCNCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H27NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.22803
Area:498.183
Solvation:-4.22654
Coulombic:-33.9423
Bond Count [?]
All:19
Single:16
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:265.391
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.37
LogP (Chemaxon):3.07

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Descriptor Annotations

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