N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine

C16H19N3O2 — CID 107381473

IUPACN-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESc1ccc(OCCOc2cnc(CNC3CC3)cn2)cc1
InChIInChI=1S/C16H19N3O2/c1-2-4-15(5-3-1)20-8-9-21-16-12-18-14(11-19-16)10-17-13-6-7-13/h1-5,11-13,17H,6-10H2
InChIKeyLRWVKWBRVBBLIO-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.19
Rot. Bonds8

About N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine

N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 107381473) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID107381473
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESc1ccc(OCCOc2cnc(CNC3CC3)cn2)cc1
InChIInChI=1S/C16H19N3O2/c1-2-4-15(5-3-1)20-8-9-21-16-12-18-14(11-19-16)10-17-13-6-7-13/h1-5,11-13,17H,6-10H2
InChIKeyLRWVKWBRVBBLIO-UHFFFAOYSA-N
XLogP2.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine
CID 107381343
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381795
N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106908050
N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382024
N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382017
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381478
N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66449855
N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382210
2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol
CID 79781914
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methylpyrazin-2-amine
CID 107379625

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine (CID 107381473) is N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine is c1ccc(OCCOc2cnc(CNC3CC3)cn2)cc1.
What is the InChIKey of N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is LRWVKWBRVBBLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-4-15(5-3-1)20-8-9-21-16-12-18-14(11-19-16)10-17-13-6-7-13/h1-5,11-13,17H,6-10H2.
What are the key properties of N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 285.35 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107381473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).