Chemical ID: 4399179

Cc1ccccc1OCC(CN(C(C)C)C(C)C)O
Chemical ID:
4399179
Name [?]:
1-diisopropylamino-3-(2-methylphenoxy)-propan-2-ol
SMILES [?]:
Cc1ccccc1OCC(CN(C(C)C)C(C)C)O
InChi [?]:
InChI=1/C16H27NO2/c1-12(2)17(13(3)4)10-15(18)11-19-16-9-7-6-8-14(16)5/h6-9,12-13,15,18H,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:14,15,17,18,1,4,5,3,6,11,9,13,16,2,10,7,12,19,8/E:(1,2,3,4)(12,13)/rA:19cCCCCCCCOCCCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s13;s12;s16;s16;s10;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H27NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.04015
Area:479.895
Solvation:-3.95721
Coulombic:-30.1544
Bond Count [?]
All:19
Single:16
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:265.391
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.11
LogP (Chemaxon):3.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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