Chemical ID: 7113679

CCOc1cccc(c1OCC=C)CNCCCO
Chemical ID:
7113679
Name [?]:
3-[(2-allyloxy-3-ethoxy-phenyl)methylamino]propan-1-ol
SMILES [?]:
CCOc1cccc(c1OCC=C)CNCCCO
InChi [?]:
InChI=1/C15H23NO3/c1-3-11-19-15-13(12-16-9-6-10-17)7-5-8-14(15)18-4-2/h3,5,7-8,16-17H,1,4,6,9-12H2,2H3
InChi Info:
AuxInfo=1/0/N:13,1,12,2,6,17,7,5,16,18,11,14,8,4,9,15,19,3,10/rA:19nCCOCCCCCCOCCCCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s8;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO3
All Atoms:42
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.54455
Area:506.648
Solvation:-5.12165
Coulombic:-42.4897
Bond Count [?]
All:19
Single:15
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:265.348
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.78
LogP (Chemaxon):1.76

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