Chemical ID: 4522220

CC1c2cc(c(cc2CCN1)O)OC
Chemical ID:
4522220
Name [?]:
7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILES [?]:
CC1c2cc(c(cc2CCN1)O)OC
InChi [?]:
InChI=1/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,9,10,7,4,2,8,3,6,5,11,12,13/rA:14cCCCCCCCCCCNOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;s6;s5;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.22373
Area:349.383
Solvation:-3.51085
Coulombic:-31.8103
Bond Count [?]
All:15
Single:12
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:193.242
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.42
LogP (Chemaxon):1.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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