Chemical ID: 4116428

CC1c2cc(c(cc2CCN1C)OC)OC
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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