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Chemical ID: 5069745
Chemical ID:
5069745
Name [?]:
2-(3-butoxyphenyl)-4-methyl-pyrrolidine
SMILES [?]:
CCCCOc1cccc(c1)C2CC(CN2)C
InChi [?]:
InChI=1/C15H23NO/c1-3-4-8-17-14-7-5-6-13(10-14)15-9-12(2)11-16-15/h5-7,10,12,15-16H,3-4,8-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,3,8,9,7,4,13,11,15,14,10,6,12,16,5/rA:17cCCCCOCCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;s14;s12s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.25768 |
Area: | 452.161 |
Solvation: | -2.04636 |
Coulombic: | -18.3859 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.7 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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