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

C15H19BrN2O3 — CID 60905184

IUPAC2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)cc(Br)c1OCc1c(C)noc1C
InChIInChI=1S/C15H19BrN2O3/c1-9-12(10(2)21-18-9)8-20-15-13(16)6-11(4-5-17)7-14(15)19-3/h6-7H,4-5,8,17H2,1-3H3
InChIKeyKGHOUFRATYXVQF-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.14
Rot. Bonds6

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

2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine (PubChem CID 60905184) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine
PubChem CID60905184
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)cc(Br)c1OCc1c(C)noc1C
InChIInChI=1S/C15H19BrN2O3/c1-9-12(10(2)21-18-9)8-20-15-13(16)6-11(4-5-17)7-14(15)19-3/h6-7H,4-5,8,17H2,1-3H3
InChIKeyKGHOUFRATYXVQF-UHFFFAOYSA-N
XLogP3.14
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-bromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methoxyphenyl]ethanamine
CID 60905776
2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643588
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]methanamine
CID 60879250
2-[3-bromo-4-(3-fluoropropoxy)-5-methoxyphenyl]ethanamine
CID 81114019
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethoxybenzaldehyde
CID 43516639
2-(3-bromo-4-but-2-ynoxy-5-methoxyphenyl)ethanamine
CID 62310802
2-[3,5-dibromo-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107739556
2-[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 54931058
2-[3,5-dibromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107739575
2-[3-bromo-4-(3-ethoxypropoxy)-5-methoxyphenyl]ethanamine
CID 65180503
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine
CID 112614814
3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
CID 83477684

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine?
The IUPAC name of 2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine (CID 60905184) is 2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine is COc1cc(CCN)cc(Br)c1OCc1c(C)noc1C.
What is the InChIKey of 2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine?
The InChIKey is KGHOUFRATYXVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-9-12(10(2)21-18-9)8-20-15-13(16)6-11(4-5-17)7-14(15)19-3/h6-7H,4-5,8,17H2,1-3H3.
What are the key properties of 2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine?
2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine has a molecular weight of 355.23 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine is sourced from PubChem (CID 60905184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).