Chemical ID: 4255541

CC(C)(C)NCC(COc1ccc2ccccc2c1)O
Chemical ID:
4255541
Name [?]:
1-(2-naphthyloxy)-3-tert-butylamino-propan-2-ol
SMILES [?]:
CC(C)(C)NCC(COc1ccc2ccccc2c1)O
InChi [?]:
InChI=1/C17H23NO2/c1-17(2,3)18-11-15(19)12-20-16-9-8-13-6-4-5-7-14(13)10-16/h4-10,15,18-19H,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,16,14,17,12,11,19,6,8,13,18,7,10,2,5,20,9/E:(1,2,3)/rA:20cCCCCNCCCOCCCCCCCCCCO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.86733
Area:493.958
Solvation:-4.48162
Coulombic:-33.9376
Bond Count [?]
All:21
Single:16
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.37
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.44
LogP (Chemaxon):2.88

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