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

C15H18BrN3O2 — CID 63045674

IUPACN-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2noc(C3CC3)n2)c(Br)c1
InChIInChI=1S/C15H18BrN3O2/c1-2-17-8-10-3-6-13(12(16)7-10)20-9-14-18-15(21-19-14)11-4-5-11/h3,6-7,11,17H,2,4-5,8-9H2,1H3
InChIKeyNLXLBYIHGJDMCP-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.40
Rot. Bonds7

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

N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 63045674) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID63045674
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC NameN-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2noc(C3CC3)n2)c(Br)c1
InChIInChI=1S/C15H18BrN3O2/c1-2-17-8-10-3-6-13(12(16)7-10)20-9-14-18-15(21-19-14)11-4-5-11/h3,6-7,11,17H,2,4-5,8-9H2,1H3
InChIKeyNLXLBYIHGJDMCP-UHFFFAOYSA-N
XLogP3.40
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63045842
N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 61496946
N-[[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 63044984
N-[[3-bromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 63046381
1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 102948199
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63046886
N-[[3-bromo-4-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 55147134
2-[5-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495574
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796270
N-[[3-bromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63046028
1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 61497257
1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 102946181

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine (CID 63045674) is N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OCc2noc(C3CC3)n2)c(Br)c1.
What is the InChIKey of N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is NLXLBYIHGJDMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-2-17-8-10-3-6-13(12(16)7-10)20-9-14-18-15(21-19-14)11-4-5-11/h3,6-7,11,17H,2,4-5,8-9H2,1H3.
What are the key properties of N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine?
N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 352.23 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 63045674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).