Chemical ID: 5069538

CC1CC(NC1)c2ccc(c(c2)C(C)(C)C)OC
Chemical ID:
5069538
Name [?]:
2-(4-methoxy-3-tert-butyl-phenyl)-4-methyl-pyrrolidine
SMILES [?]:
CC1CC(NC1)c2ccc(c(c2)C(C)(C)C)OC
InChi [?]:
InChI=1/C16H25NO/c1-11-8-14(17-10-11)12-6-7-15(18-5)13(9-12)16(2,3)4/h6-7,9,11,14,17H,8,10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,14,15,16,18,8,9,3,12,6,2,7,11,4,10,13,5,17/E:(2,3,4)/rA:18cCCCCNCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s2s5;s4;s7;d8;s9;d10;d7s11;s11;s13;s13;s13;s10;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:9.19474
Area:444.339
Solvation:-1.91374
Coulombic:-18.1552
Bond Count [?]
All:19
Single:16
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.376
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.96
LogP (Chemaxon):3.75

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Descriptor Annotations

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