N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine

C17H21N3O — CID 66451614

IUPACN-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(C)c(Oc2cncc(CNC3CC3)n2)c1C
InChIInChI=1S/C17H21N3O/c1-11-4-5-12(2)17(13(11)3)21-16-10-18-8-15(20-16)9-19-14-6-7-14/h4-5,8,10,14,19H,6-7,9H2,1-3H3
InChIKeyMJIMSIPNTXYTBO-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.45
Rot. Bonds5

About N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine

N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 66451614) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID66451614
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(C)c(Oc2cncc(CNC3CC3)n2)c1C
InChIInChI=1S/C17H21N3O/c1-11-4-5-12(2)17(13(11)3)21-16-10-18-8-15(20-16)9-19-14-6-7-14/h4-5,8,10,14,19H,6-7,9H2,1-3H3
InChIKeyMJIMSIPNTXYTBO-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451411
N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451008
N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66467503
[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]hydrazine
CID 80917231
N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66467741
N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66450987
N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine
CID 106449495
N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66449855
N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62322224
6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine
CID 66456963
N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298316
N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 83134114

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine (CID 66451614) is N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine is Cc1ccc(C)c(Oc2cncc(CNC3CC3)n2)c1C.
What is the InChIKey of N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is MJIMSIPNTXYTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-4-5-12(2)17(13(11)3)21-16-10-18-8-15(20-16)9-19-14-6-7-14/h4-5,8,10,14,19H,6-7,9H2,1-3H3.
What are the key properties of N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 283.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66451614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).