Chemical ID: 4171430

CCOc1ccccc1CN2CCc3cc(c(cc3C2)OC)OC
Chemical ID:
4171430
Name [?]:
2-[(2-ethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
SMILES [?]:
CCOc1ccccc1CN2CCc3cc(c(cc3C2)OC)OC
InChi [?]:
InChI=1/C20H25NO3/c1-4-24-18-8-6-5-7-16(18)13-21-10-9-15-11-19(22-2)20(23-3)12-17(15)14-21/h5-8,11-12H,4,9-10,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,22,2,7,6,8,5,13,12,15,18,10,20,14,9,19,4,16,17,11,23,21,3/rA:24cCCOCCCCCCCNCCCCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;s17;s21;s16;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:7.22576
Area:544.473
Solvation:-6.38605
Coulombic:-26.8921
Bond Count [?]
All:26
Single:20
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:327.417
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.23
LogP (Chemaxon):3.28

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Descriptor Annotations

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