N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine

C15H18BrN3O — CID 107382393

IUPACN-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCc2ccc(Br)cc2)cn1
InChIInChI=1S/C15H18BrN3O/c1-2-7-17-8-14-9-19-15(10-18-14)20-11-12-3-5-13(16)6-4-12/h3-6,9-10,17H,2,7-8,11H2,1H3
InChIKeyFVKPSZTWXPLLJS-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.32
Rot. Bonds7

About N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine

N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 107382393) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine
PubChem CID107382393
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCc2ccc(Br)cc2)cn1
InChIInChI=1S/C15H18BrN3O/c1-2-7-17-8-14-9-19-15(10-18-14)20-11-12-3-5-13(16)6-4-12/h3-6,9-10,17H,2,7-8,11H2,1H3
InChIKeyFVKPSZTWXPLLJS-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine
CID 82828118
N-[[2-[(4-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-1-amine
CID 82831459
N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808490
N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine
CID 107382196
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79157715
N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381727
N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 104796391
N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381761
N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381438
N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 104796100
N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381742
N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine
CID 107381855

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine (CID 107382393) is N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cnc(OCc2ccc(Br)cc2)cn1.
What is the InChIKey of N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is FVKPSZTWXPLLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-2-7-17-8-14-9-19-15(10-18-14)20-11-12-3-5-13(16)6-4-12/h3-6,9-10,17H,2,7-8,11H2,1H3.
What are the key properties of N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine?
N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 336.23 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107382393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).