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

C15H19BrN2O3 — CID 115962620

IUPAC2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine
SMILESCOCc1cc(COc2c(C)cc(Br)cc2CCN)no1
InChIInChI=1S/C15H19BrN2O3/c1-10-5-12(16)6-11(3-4-17)15(10)20-8-13-7-14(9-19-2)21-18-13/h5-7H,3-4,8-9,17H2,1-2H3
InChIKeyGFIGZOSTYQTQSV-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.97
Rot. Bonds7

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

2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine (PubChem CID 115962620) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine
PubChem CID115962620
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine
SMILESCOCc1cc(COc2c(C)cc(Br)cc2CCN)no1
InChIInChI=1S/C15H19BrN2O3/c1-10-5-12(16)6-11(3-4-17)15(10)20-8-13-7-14(9-19-2)21-18-13/h5-7H,3-4,8-9,17H2,1-2H3
InChIKeyGFIGZOSTYQTQSV-UHFFFAOYSA-N
XLogP2.97
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine
CID 66188973
[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 66157009
4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid
CID 66156033
2-[5-bromo-3-methyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 115962723
[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 112608092
2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962661
2-[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]ethanamine
CID 79800694
2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine
CID 112621515
2-[5-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962640
2-[5-bromo-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanamine
CID 112621531
2-[5-bromo-3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 115962621
2-[5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylphenyl]ethanamine
CID 115962732

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine?
The IUPAC name of 2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine (CID 115962620) is 2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine is COCc1cc(COc2c(C)cc(Br)cc2CCN)no1.
What is the InChIKey of 2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine?
The InChIKey is GFIGZOSTYQTQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-10-5-12(16)6-11(3-4-17)15(10)20-8-13-7-14(9-19-2)21-18-13/h5-7H,3-4,8-9,17H2,1-2H3.
What are the key properties of 2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine?
2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine has a molecular weight of 355.23 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine is sourced from PubChem (CID 115962620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).