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Chemical ID: 7102507
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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