Chemical ID: 6045885

CCc1cccc2c1oc(c2)C(CNC(C)(C)C)O
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

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