Chemical ID: 6684613

COc1cc(cc(c1)OC)CN
Chemical ID:
6684613
Name [?]:
(3,5-dimethoxyphenyl)methanamine
SMILES [?]:
COc1cc(cc(c1)OC)CN
InChi [?]:
InChI=1/C9H13NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,4,6,8,11,5,3,7,12,2,9/E:(1,2)(3,4)(8,9)(11,12)/rA:12nCOCCCCCCOCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.80548
Area:336.958
Solvation:-3.61847
Coulombic:-26.2595
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:167.205
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.97
LogP (Chemaxon):0.66

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