N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine

C16H19N3O — CID 66451008

IUPACN-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCCc1ccc(Oc2cncc(CNC3CC3)n2)cc1
InChIInChI=1S/C16H19N3O/c1-2-12-3-7-15(8-4-12)20-16-11-17-9-14(19-16)10-18-13-5-6-13/h3-4,7-9,11,13,18H,2,5-6,10H2,1H3
InChIKeyJLSMGWUYJXINHF-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.08
Rot. Bonds6

About N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine

N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 66451008) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID66451008
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCCc1ccc(Oc2cncc(CNC3CC3)n2)cc1
InChIInChI=1S/C16H19N3O/c1-2-12-3-7-15(8-4-12)20-16-11-17-9-14(19-16)10-18-13-5-6-13/h3-4,7-9,11,13,18H,2,5-6,10H2,1H3
InChIKeyJLSMGWUYJXINHF-UHFFFAOYSA-N
XLogP3.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451614
N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66467503
N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66450987
N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451411
N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66449855
N-[[6-(4-methoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62323240
N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66467741
N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296590
N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296410
N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine
CID 106449495
1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298335
N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine (CID 66451008) is N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine is CCc1ccc(Oc2cncc(CNC3CC3)n2)cc1.
What is the InChIKey of N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is JLSMGWUYJXINHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-12-3-7-15(8-4-12)20-16-11-17-9-14(19-16)10-18-13-5-6-13/h3-4,7-9,11,13,18H,2,5-6,10H2,1H3.
What are the key properties of N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 269.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66451008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).