2-(3-bromophenoxy)-N,N-dimethylethanamine

Formula:C10H14NOBr CAS:221915-84-0 ChemrytIQ

PropertyValue
Casrn221915-84-0
MolName2-(3-bromophenoxy)-N,N-dimethylethanamine
MolecularFormulaC10H14NOBr
SmilesCN(C)CCOc1cccc(Br)c1
InChIInChI=1S/C10H14BrNO/c1-12(2)6-7-13-10-5-3-4-9(11)8-10/h3-5,8H,6-7H2,1-2H3
InChIKITRIRBFNZOUJEP-UHFFFAOYSA-N
CanonicalSyTyLFy43379fc4c27d9a03
TotalMolweight244.131
Molweight244.131
MonoisotopicMass243.025875
CLogP2.0146
CLogS-1.891
H Acceptors2
TotalSurfaceArea164.23
Relative PSA0.082506
PolarSurfaceArea12.47
Druglikeness2.7354
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.69231
Molecula Flexibility0.57226
Molecular Complexity0.57762
Fragments1
Non HAtoms13
NonCHAtoms3
Electronegative Atoms3
Rotatable Bond4
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms6
Symmetricatoms1
Amines1
AlkylAmines1
BasicNitrogens1
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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100-16-3lowhighnoneC6H7N3O2153.141-9.8627 ChemrytIQ
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100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354 ChemrytIQ
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100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592 ChemrytIQ
100-89-0nonenonelowC18H36O6B2370.1-16.157 ChemrytIQ
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10000-42-7highhighlowC20H18N4O3362.388-5.7793 ChemrytIQ
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100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575 ChemrytIQ
100016-58-8nonehighnoneC19H19NO5341.3621.8385 ChemrytIQ
100-06-1nonenonenoneC9H10O2150.176-1.6836 ChemrytIQ
1000-83-5lowhighhighC2H6N2OS106.149-2.264 ChemrytIQ
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100-09-4nonenonenoneC8H8O3152.149-1.597 ChemrytIQ
100-92-5nonenonenoneC11H17N163.2631.1672 ChemrytIQ
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821 ChemrytIQ
100-38-9nonenonehighC6H15NS133.2580.17671 ChemrytIQ
1000-84-6nonenonehighC4H9NO87.1215-6.3779 ChemrytIQ
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1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843 ChemrytIQ
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100004-81-7nonenonenoneC13H11NO3229.234-1.3547 ChemrytIQ
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10-31-2001nonenonenoneC21H28NO6P421.428-10.542 ChemrytIQ
100005-79-6nonenonenoneC12H9NS199.276-2.6106 ChemrytIQ
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100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216 ChemrytIQ
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
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