2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine

C14H17BrN2O3 — CID 66190553

IUPAC2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
SMILESCOCc1cc(COc2ccc(CCN)cc2Br)no1
InChIInChI=1S/C14H17BrN2O3/c1-18-9-12-7-11(17-20-12)8-19-14-3-2-10(4-5-16)6-13(14)15/h2-3,6-7H,4-5,8-9,16H2,1H3
InChIKeyVCYQLNSPILKJTC-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.66
Rot. Bonds7

About 2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine

2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine (PubChem CID 66190553) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
PubChem CID66190553
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
SMILESCOCc1cc(COc2ccc(CCN)cc2Br)no1
InChIInChI=1S/C14H17BrN2O3/c1-18-9-12-7-11(17-20-12)8-19-14-3-2-10(4-5-16)6-13(14)15/h2-3,6-7H,4-5,8-9,16H2,1H3
InChIKeyVCYQLNSPILKJTC-UHFFFAOYSA-N
XLogP2.66
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 66158008
[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 66157009
2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine
CID 66188973
[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 63044789
3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 114672579
2-[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]ethanamine
CID 79800694
[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150560
1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66157614
2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine
CID 115962620
(1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol
CID 79027106
[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrophenyl]methanol
CID 66190732
2-[3-bromo-4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 63422162

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine (CID 66190553) is 2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine is COCc1cc(COc2ccc(CCN)cc2Br)no1.
What is the InChIKey of 2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine?
The InChIKey is VCYQLNSPILKJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-18-9-12-7-11(17-20-12)8-19-14-3-2-10(4-5-16)6-13(14)15/h2-3,6-7H,4-5,8-9,16H2,1H3.
What are the key properties of 2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine?
2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine has a molecular weight of 341.21 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine is sourced from PubChem (CID 66190553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).