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Chemical ID: 7100139
Chemical ID:
7100139
Name [?]:
2-(2,5-dimethylphenyl)pyrrolidine
SMILES [?]:
Cc1ccc(c(c1)C2CCCN2)C
InChi [?]:
InChI=1/C12H17N/c1-9-5-6-10(2)11(8-9)12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,10,9,3,4,11,7,2,5,6,8,12/rA:13cCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s8s11;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17N |
All Atoms: | 30 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.76601 |
Area: | 347.214 |
Solvation: | -0.914328 |
Coulombic: | -10.2168 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 175.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.02 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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