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Chemical ID: 5069821
Chemical ID:
5069821
Name [?]:
2-(2,3-dimethoxyphenyl)-4-methyl-pyrrolidine
SMILES [?]:
CC1CC(NC1)c2cccc(c2OC)OC
InChi [?]:
InChI=1/C13H19NO2/c1-9-7-11(14-8-9)10-5-4-6-12(15-2)13(10)16-3/h4-6,9,11,14H,7-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,14,9,8,10,3,6,2,7,4,11,12,5,15,13/rA:16cCCCCNCCCCCCCOCOC/rB:s1;s2;s3;s4;s2s5;s4;s7;d8;s9;d10;d7s11;s12;s13;s11;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.56619 |
Area: | 402.152 |
Solvation: | -3.48761 |
Coulombic: | -24.7695 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 221.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.0 |
LogP (Chemaxon): | 1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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