Chemical ID: 5069821

CC1CC(NC1)c2cccc(c2OC)OC
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

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