Chemical ID: 5574372

CC1c2cc(c(cc2CCN1C)OC)O
Chemical ID:
5574372
Name [?]:
6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILES [?]:
CC1c2cc(c(cc2CCN1C)OC)O
InChi [?]:
InChI=1/C12H17NO2/c1-8-10-7-11(14)12(15-3)6-9(10)4-5-13(8)2/h6-8,14H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,14,9,10,7,4,2,8,3,5,6,11,15,13/rA:15cCCCCCCCCCCNCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;s11;s6;s13;s5;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:5.69808
Area:369.366
Solvation:-3.53607
Coulombic:-28.2299
Bond Count [?]
All:16
Single:13
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:207.269
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.65
LogP (Chemaxon):1.79

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