Chemical ID: 5069321

CC1CC(NC1)c2ccc(cc2)OC
Chemical ID:
5069321
Name [?]:
2-(4-methoxyphenyl)-4-methyl-pyrrolidine
SMILES [?]:
CC1CC(NC1)c2ccc(cc2)OC
InChi [?]:
InChI=1/C12H17NO/c1-9-7-12(13-8-9)10-3-5-11(14-2)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,8,12,9,11,3,6,2,7,10,4,5,13/E:(3,4)(5,6)/rA:14cCCCCNCCCCCCCOC/rB:s1;s2;s3;s4;s2s5;s4;s7;d8;s9;d10;d7s11;s10;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:7.03974
Area:372.352
Solvation:-2.26905
Coulombic:-17.2397
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

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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