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Chemical ID: 6045885
Chemical ID:
6045885
Name [?]:
1-(7-ethylbenzofuran-2-yl)-2-tert-butylamino-ethanol
SMILES [?]:
CCc1cccc2c1oc(c2)C(CNC(C)(C)C)O
InChi [?]:
InChI=1/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,17,18,2,5,4,6,11,13,3,7,12,10,8,15,14,19,9/E:(2,3,4)/rA:19cCCCCCCCCOCCCCNCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7d10;s10;s12;s13;s14;s15;s15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.78936 |
Area: | 477.13 |
Solvation: | -3.1389 |
Coulombic: | -34.4911 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.359 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.97 |
LogP (Chemaxon): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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