2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine

C14H18BrN3O3 — CID 60905967

IUPAC2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
SMILESCCOc1cc(CCN)cc(Br)c1OCc1nnc(C)o1
InChIInChI=1S/C14H18BrN3O3/c1-3-19-12-7-10(4-5-16)6-11(15)14(12)20-8-13-18-17-9(2)21-13/h6-7H,3-5,8,16H2,1-2H3
InChIKeyMNVKRIXRGYHVEN-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.62
Rot. Bonds7

About 2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine

2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine (PubChem CID 60905967) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
PubChem CID60905967
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
SMILESCCOc1cc(CCN)cc(Br)c1OCc1nnc(C)o1
InChIInChI=1S/C14H18BrN3O3/c1-3-19-12-7-10(4-5-16)6-11(15)14(12)20-8-13-18-17-9(2)21-13/h6-7H,3-5,8,16H2,1-2H3
InChIKeyMNVKRIXRGYHVEN-UHFFFAOYSA-N
XLogP2.62
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 43627063
2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906399
[3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
CID 43622608
[3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 60887547
2-(3-bromo-5-ethoxy-4-heptoxyphenyl)ethanamine
CID 63420977
[3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine
CID 60888899
[3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
CID 60887910
methyl 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 54931340
2-[3-bromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methoxyphenyl]ethanamine
CID 60905776
2-[3,5-dibromo-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107739556
2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 54930553
2-[3,5-dibromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107739575

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine (CID 60905967) is 2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine is CCOc1cc(CCN)cc(Br)c1OCc1nnc(C)o1.
What is the InChIKey of 2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is MNVKRIXRGYHVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-3-19-12-7-10(4-5-16)6-11(15)14(12)20-8-13-18-17-9(2)21-13/h6-7H,3-5,8,16H2,1-2H3.
What are the key properties of 2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 356.22 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 60905967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).