Chemical ID: 3966589

CCOc1ccc2c(c1)C(=CC(N2)(C)C)C
Chemical ID:
3966589
Name [?]:
6-ethoxy-2,2,4-trimethyl-1H-quinoline
SMILES [?]:
CCOc1ccc2c(c1)C(=CC(N2)(C)C)C
InChi [?]:
InChI=1/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,14,15,2,5,6,9,11,10,4,8,7,12,13,3/E:(3,4)/rA:16nCCOCCCCCCCCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s11;s7s12;s12;s12;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.03077
Area:404.123
Solvation:-2.0723
Coulombic:-19.8935
Bond Count [?]
All:17
Single:13
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:217.307
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.29
LogP (Chemaxon):2.62

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Descriptor Annotations

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