Chemical ID: 7513335

COCCNCCOc1ccccc1Br
Chemical ID:
7513335
Name [?]:
N-[2-(2-bromophenoxy)ethyl]-2-methoxy-ethanamine
SMILES [?]:
COCCNCCOc1ccccc1Br
InChi [?]:
InChI=1/C11H16BrNO2/c1-14-8-6-13-7-9-15-11-5-3-2-4-10(11)12/h2-5,13H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,4,6,3,7,14,9,15,5,2,8/rA:15nCOCCNCCOCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16BrNO2
All Atoms:31
Heavy Atoms:15
Chiral Atoms:None
ZAP Information [?]
Total:6.49622
Area:432.473
Solvation:-4.3156
Coulombic:-24.357
Bond Count [?]
All:15
Single:12
Double:3
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.16
LogP (Chemaxon):None

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Descriptor Annotations

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