N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine

C14H16BrN3O — CID 82832374

IUPACN-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(OCc2ccccc2Br)n1
InChIInChI=1S/C14H16BrN3O/c1-2-16-7-12-8-17-9-14(18-12)19-10-11-5-3-4-6-13(11)15/h3-6,8-9,16H,2,7,10H2,1H3
InChIKeyGVKDEFOBAPARQQ-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.93
Rot. Bonds6

About N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine

N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine (PubChem CID 82832374) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
PubChem CID82832374
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(OCc2ccccc2Br)n1
InChIInChI=1S/C14H16BrN3O/c1-2-16-7-12-8-17-9-14(18-12)19-10-11-5-3-4-6-13(11)15/h3-6,8-9,16H,2,7,10H2,1H3
InChIKeyGVKDEFOBAPARQQ-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine
CID 82831544
N-[[6-[(4-methoxyphenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
CID 66449623
N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82807232
N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831389
N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 107379580
N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine
CID 66450004
N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391709
[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methanamine
CID 82828361
N-[[6-(cyclohexylmethoxy)pyrazin-2-yl]methyl]ethanamine
CID 66467272
N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine
CID 66449615
N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450804
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 66467274

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine (CID 82832374) is N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine is CCNCc1cncc(OCc2ccccc2Br)n1.
What is the InChIKey of N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine?
The InChIKey is GVKDEFOBAPARQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-2-16-7-12-8-17-9-14(18-12)19-10-11-5-3-4-6-13(11)15/h3-6,8-9,16H,2,7,10H2,1H3.
What are the key properties of N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine?
N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine has a molecular weight of 322.21 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 82832374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).