Chemical ID: 5761549

c1ccc(c(c1)OCC2CCCN3C2CCCC3)Br
Chemical ID:
5761549
Name [?]:
1-[(2-bromophenoxy)methyl]-2,3,4,5,6,7,8,8a-octahydro-1H-quinolizine
SMILES [?]:
c1ccc(c(c1)OCC2CCCN3C2CCCC3)Br
InChi [?]:
InChI=1/C16H22BrNO/c17-14-7-1-2-9-16(14)19-12-13-6-5-11-18-10-4-3-8-15(13)18/h1-2,7,9,13,15H,3-6,8,10-12H2
InChi Info:
AuxInfo=1/0/N:2,1,16,17,11,10,3,15,6,18,12,8,9,4,14,5,19,13,7/rA:19cCCCCCCOCCCCCNCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s9s13;s14;s15;s16;s13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22BrNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:9.24185
Area:456.116
Solvation:-2.16105
Coulombic:-14.2955
Bond Count [?]
All:21
Single:18
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:324.256
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.23
LogP (Chemaxon):3.82

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Descriptor Annotations

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