Chemical ID: 4288573

CCCCOc1ccc(cc1)CN2CCCC3C2CCCC3
Chemical ID:
4288573
Name [?]:
1-[(4-butoxyphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILES [?]:
CCCCOc1ccc(cc1)CN2CCCC3C2CCCC3
InChi [?]:
InChI=1/C20H31NO/c1-2-3-15-22-19-12-10-17(11-13-19)16-21-14-6-8-18-7-4-5-9-20(18)21/h10-13,18,20H,2-9,14-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,21,20,15,22,16,19,8,10,7,11,14,4,12,9,17,6,18,13,5/E:(10,11)(12,13)/rA:22cCCCCOCCCCCCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;s16;s13s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H31NO
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:10.825
Area:525.661
Solvation:-2.31651
Coulombic:-15.219
Bond Count [?]
All:24
Single:21
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:301.466
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.25
LogP (Chemaxon):4.79

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Descriptor Annotations

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