2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol

C11H16BrNO2 — CID 63044980

IUPAC2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol
SMILESCCNCc1ccc(OCCO)c(Br)c1
InChIInChI=1S/C11H16BrNO2/c1-2-13-8-9-3-4-11(10(12)7-9)15-6-5-14/h3-4,7,13-14H,2,5-6,8H2,1H3
InChIKeyRHPHIMPUWHOPHW-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.93
Rot. Bonds6

About 2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol

2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol (PubChem CID 63044980) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol
PubChem CID63044980
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol
SMILESCCNCc1ccc(OCCO)c(Br)c1
InChIInChI=1S/C11H16BrNO2/c1-2-13-8-9-3-4-11(10(12)7-9)15-6-5-14/h3-4,7,13-14H,2,5-6,8H2,1H3
InChIKeyRHPHIMPUWHOPHW-UHFFFAOYSA-N
XLogP1.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]ethanol
CID 63063539
N-[[3-bromo-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 112588180
4-[2-bromo-4-(ethylaminomethyl)phenoxy]-N-methylbutanamide
CID 63891379
methyl 3-[2-bromo-4-(ethylaminomethyl)phenoxy]propanoate
CID 63948285
N-[(3-bromo-4-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006156
N-[[3-bromo-4-(2-propylsulfonylethoxy)phenyl]methyl]ethanamine
CID 106722196
N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 63044994
3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]propan-1-ol
CID 55147198
N-[[3-bromo-4-(2-methylbutoxy)phenyl]methyl]ethanamine
CID 63047238
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63046886
4-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
CID 63062515
ethyl 2-[2-bromo-4-(ethylaminomethyl)phenoxy]acetate
CID 63047063

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol?
The IUPAC name of 2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol (CID 63044980) is 2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol.
What is the SMILES notation for 2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol?
The canonical SMILES for 2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol is CCNCc1ccc(OCCO)c(Br)c1.
What is the InChIKey of 2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol?
The InChIKey is RHPHIMPUWHOPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-2-13-8-9-3-4-11(10(12)7-9)15-6-5-14/h3-4,7,13-14H,2,5-6,8H2,1H3.
What are the key properties of 2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol?
2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol has a molecular weight of 274.16 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol is sourced from PubChem (CID 63044980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).