Chemical ID: 4770186

CC(C)(C)NCC(COc1ccc(cc1)OC)O
Chemical ID:
4770186
Name [?]:
1-(4-methoxyphenoxy)-3-tert-butylamino-propan-2-ol
SMILES [?]:
CC(C)(C)NCC(COc1ccc(cc1)OC)O
InChi [?]:
InChI=1/C14H23NO3/c1-14(2,3)15-9-11(16)10-18-13-7-5-12(17-4)6-8-13/h5-8,11,15-16H,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,12,14,11,15,6,8,7,13,10,2,5,18,16,9/E:(1,2,3)(5,6)(7,8)/rA:18cCCCCNCCCOCCCCCCOCO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s7;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:6.26506
Area:472.488
Solvation:-5.54713
Coulombic:-39.384
Bond Count [?]
All:18
Single:15
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:253.337
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.09
LogP (Chemaxon):1.62

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue