N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine

C14H16BrN3O — CID 66450240

IUPACN-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3O/c1-10(2)17-8-12-7-16-9-14(18-12)19-13-5-3-4-11(15)6-13/h3-7,9-10,17H,8H2,1-2H3
InChIKeyAXSQBMDILWIUCV-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.53
Rot. Bonds5

About N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine

N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 66450240) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID66450240
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3O/c1-10(2)17-8-12-7-16-9-14(18-12)19-13-5-3-4-11(15)6-13/h3-7,9-10,17H,8H2,1-2H3
InChIKeyAXSQBMDILWIUCV-UHFFFAOYSA-N
XLogP3.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3-bromophenoxy)pyrazin-2-yl]methanol
CID 66466850
N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
CID 62321632
N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66449828
N-[[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-2-amine
CID 66451348
N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine
CID 106908394
N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450434
N-[(6-ethoxypyrazin-2-yl)methyl]propan-2-amine
CID 66450778
N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline
CID 62322084
N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66451416
N-[[5-(3-bromophenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80620198
N,N-dimethyl-3-[6-(methylaminomethyl)pyrazin-2-yl]oxyaniline
CID 66449849
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66467044

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine (CID 66450240) is N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cncc(Oc2cccc(Br)c2)n1.
What is the InChIKey of N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is AXSQBMDILWIUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-10(2)17-8-12-7-16-9-14(18-12)19-13-5-3-4-11(15)6-13/h3-7,9-10,17H,8H2,1-2H3.
What are the key properties of N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine?
N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 322.21 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66450240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).