Chemical ID: 5069326

CC1CC(NC1)c2cccc(c2)OC
Chemical ID:
5069326
Name [?]:
2-(3-methoxyphenyl)-4-methyl-pyrrolidine
SMILES [?]:
CC1CC(NC1)c2cccc(c2)OC
InChi [?]:
InChI=1/C12H17NO/c1-9-6-12(13-8-9)10-4-3-5-11(7-10)14-2/h3-5,7,9,12-13H,6,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,9,8,10,3,12,6,2,7,11,4,5,13/rA:14cCCCCNCCCCCCCOC/rB:s1;s2;s3;s4;s2s5;s4;s7;d8;s9;d10;d7s11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:7.12608
Area:372.275
Solvation:-2.1808
Coulombic:-17.3462
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

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Descriptor Annotations

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