Chemical ID: 6681884

COc1cccc(c1OC)CN
Chemical ID:
6681884
Name [?]:
(2,3-dimethoxyphenyl)methanamine
SMILES [?]:
COc1cccc(c1OC)CN
InChi [?]:
InChI=1/C9H13NO2/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5H,6,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,6,4,11,7,3,8,12,2,9/rA:12nCOCCCCCCOCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.04608
Area:330.032
Solvation:-4.20471
Coulombic:-26.7694
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:0.71
LogP (Chemaxon):0.66

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Experimental Annotations

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Descriptor Annotations

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