N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

C15H17BrFN3O — CID 107382420

IUPACN-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(Oc2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C15H17BrFN3O/c1-10(2)6-18-7-11-8-20-15(9-19-11)21-12-3-4-14(17)13(16)5-12/h3-5,8-10,18H,6-7H2,1-2H3
InChIKeyRMDAWSVYHFXDIO-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.92
Rot. Bonds6

About N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107382420) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107382420
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC NameN-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(Oc2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C15H17BrFN3O/c1-10(2)6-18-7-11-8-20-15(9-19-11)21-12-3-4-14(17)13(16)5-12/h3-5,8-10,18H,6-7H2,1-2H3
InChIKeyRMDAWSVYHFXDIO-UHFFFAOYSA-N
XLogP3.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381790
N-[[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381639
N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381977
N-[(5-methoxypyrazin-2-yl)methyl]-2-methylpropan-1-amine
CID 107381363
N-[[5-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382158
2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine
CID 107373790
2-(3-bromo-4-fluorophenoxy)-5-chloropyridine
CID 83233863
N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381915
N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381742
N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382017
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 167530984
N-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
CID 83233037

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (CID 107382420) is N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(Oc2ccc(F)c(Br)c2)cn1.
What is the InChIKey of N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is RMDAWSVYHFXDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-10(2)6-18-7-11-8-20-15(9-19-11)21-12-3-4-14(17)13(16)5-12/h3-5,8-10,18H,6-7H2,1-2H3.
What are the key properties of N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 354.22 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107382420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).