N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine

C16H20BrN3O — CID 82807751

IUPACN-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncc(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C16H20BrN3O/c1-12(2)7-18-8-15-9-19-10-16(20-15)21-11-13-3-5-14(17)6-4-13/h3-6,9-10,12,18H,7-8,11H2,1-2H3
InChIKeyBMLKVEVDNWJVLJ-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.56
Rot. Bonds7

About N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine

N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 82807751) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID82807751
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC NameN-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncc(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C16H20BrN3O/c1-12(2)7-18-8-15-9-19-10-16(20-15)21-11-13-3-5-14(17)6-4-13/h3-6,9-10,12,18H,7-8,11H2,1-2H3
InChIKeyBMLKVEVDNWJVLJ-UHFFFAOYSA-N
XLogP3.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine
CID 82831567
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66467044
2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine
CID 66451958
N-[[6-(4-bromo-2-chlorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66451225
N-[[6-[(4-methoxyphenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
CID 66449623
N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450804
2-methyl-N-[(6-phenylmethoxy-2-pyridinyl)methyl]propan-1-amine
CID 62292446
N-[[6-(cyclopentylmethoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66468416
N-[[6-(4-chlorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450622
methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate
CID 82827835
2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine
CID 66451944
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 104796281

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine (CID 82807751) is N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cncc(OCc2ccc(Br)cc2)n1.
What is the InChIKey of N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BMLKVEVDNWJVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-12(2)7-18-8-15-9-19-10-16(20-15)21-11-13-3-5-14(17)6-4-13/h3-6,9-10,12,18H,7-8,11H2,1-2H3.
What are the key properties of N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 350.26 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82807751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).