Chemical ID: 7102507

CCOc1ccc(cc1CNCCO)Br
Chemical ID:
7102507
Name [?]:
2-[(5-bromo-2-ethoxy-phenyl)methylamino]ethanol
SMILES [?]:
CCOc1ccc(cc1CNCCO)Br
InChi [?]:
InChI=1/C11H16BrNO2/c1-2-15-11-4-3-10(12)7-9(11)8-13-5-6-14/h3-4,7,13-14H,2,5-6,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,5,12,13,8,10,9,7,4,15,11,14,3/rA:15nCCOCCCCCCCNCCOBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s7;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16BrNO2
All Atoms:31
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.96042
Area:426.068
Solvation:-3.69127
Coulombic:-32.7723
Bond Count [?]
All:15
Single:12
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.154
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.96
LogP (Chemaxon):2.01

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