Chemical ID: 4413558

c1cc(cc(c1)Br)OCCN2CCCC2
Chemical ID:
4413558
Name [?]:
1-[2-(3-bromophenoxy)ethyl]pyrrolidine
SMILES [?]:
c1cc(cc(c1)Br)OCCN2CCCC2
InChi [?]:
InChI=1/C12H16BrNO/c13-11-4-3-5-12(10-11)15-9-8-14-6-1-2-7-14/h3-5,10H,1-2,6-9H2
InChi Info:
AuxInfo=1/0/N:13,14,1,6,2,12,15,10,9,4,5,3,7,11,8/E:(1,2)(6,7)/rA:15nCCCCCCBrOCCNCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16BrNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.53316
Area:409.693
Solvation:-2.70917
Coulombic:-12.7186
Bond Count [?]
All:16
Single:13
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.166
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.09
LogP (Chemaxon):2.89

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