Chemical ID: 5069299

CCOc1ccc(cc1)C2CC(CN2)C
Chemical ID:
5069299
Name [?]:
2-(4-ethoxyphenyl)-4-methyl-pyrrolidine
SMILES [?]:
CCOc1ccc(cc1)C2CC(CN2)C
InChi [?]:
InChI=1/C13H19NO/c1-3-15-12-6-4-11(5-7-12)13-8-10(2)9-14-13/h4-7,10,13-14H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,6,8,5,9,11,13,12,7,4,10,14,3/E:(4,5)(6,7)/rA:15cCCOCCCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s10s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:7.81194
Area:399.277
Solvation:-2.16997
Coulombic:-17.4857
Bond Count [?]
All:16
Single:13
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.296
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.78
LogP (Chemaxon):2.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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