Chemical ID: 5069745

CCCCOc1cccc(c1)C2CC(CN2)C
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

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Descriptor Annotations

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