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Chemical ID: 4116428
Chemical ID:
4116428
Name [?]:
6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
SMILES [?]:
CC1c2cc(c(cc2CCN1C)OC)OC
InChi [?]:
InChI=1/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,12,14,16,9,10,7,4,2,8,3,6,5,11,13,15/rA:16cCCCCCCCCCCNCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;s11;s6;s13;s5;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.2313 |
Area: | 390.055 |
Solvation: | -4.52006 |
Coulombic: | -18.9386 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 221.296 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.71 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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