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Chemical ID: 5069321
Chemical ID:
5069321
Name [?]:
2-(4-methoxyphenyl)-4-methyl-pyrrolidine
SMILES [?]:
CC1CC(NC1)c2ccc(cc2)OC
InChi [?]:
InChI=1/C12H17NO/c1-9-7-12(13-8-9)10-3-5-11(14-2)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,8,12,9,11,3,6,2,7,10,4,5,13/E:(3,4)(5,6)/rA:14cCCCCNCCCCCCCOC/rB:s1;s2;s3;s4;s2s5;s4;s7;d8;s9;d10;d7s11;s10;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.03974 |
Area: | 372.352 |
Solvation: | -2.26905 |
Coulombic: | -17.2397 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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