Chemical ID: 5069468

Cc1cc(c(cc1OC)C)C2CC(CN2)C
Chemical ID:
5069468
Name [?]:
2-(4-methoxy-2,5-dimethyl-phenyl)-4-methyl-pyrrolidine
SMILES [?]:
Cc1cc(c(cc1OC)C)C2CC(CN2)C
InChi [?]:
InChI=1/C14H21NO/c1-9-5-13(15-8-9)12-6-11(3)14(16-4)7-10(12)2/h6-7,9,13,15H,5,8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:16,10,1,9,12,3,6,14,13,5,2,4,11,7,15,8/rA:16cCCCCCCCOCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;s4;s11;s12;s13;s11s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:8.02928
Area:408.149
Solvation:-2.17445
Coulombic:-17.0167
Bond Count [?]
All:17
Single:14
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:219.323
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.02
LogP (Chemaxon):3.05

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Descriptor Annotations

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