N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine

C15H17N3O — CID 107381343

IUPACN-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine
SMILESc1ccc(COc2cnc(CNC3CC3)cn2)cc1
InChIInChI=1S/C15H17N3O/c1-2-4-12(5-3-1)11-19-15-10-17-14(9-18-15)8-16-13-6-7-13/h1-5,9-10,13,16H,6-8,11H2
InChIKeyALJKLOSOLNENDU-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.31
Rot. Bonds6

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

N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine (PubChem CID 107381343) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine
PubChem CID107381343
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine
SMILESc1ccc(COc2cnc(CNC3CC3)cn2)cc1
InChIInChI=1S/C15H17N3O/c1-2-4-12(5-3-1)11-19-15-10-17-14(9-18-15)8-16-13-6-7-13/h1-5,9-10,13,16H,6-8,11H2
InChIKeyALJKLOSOLNENDU-UHFFFAOYSA-N
XLogP2.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381473
2-ethyl-5-phenylmethoxypyrazine
CID 144823706
2-methyl-5-phenylmethoxypyrazine
CID 129054090
N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381478
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381795
N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382017
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978
N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382024
N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66449855
N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382210
2-bromo-5-phenylmethoxypyrazine
CID 46738200
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine (CID 107381343) is N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine is c1ccc(COc2cnc(CNC3CC3)cn2)cc1.
What is the InChIKey of N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine?
The InChIKey is ALJKLOSOLNENDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-4-12(5-3-1)11-19-15-10-17-14(9-18-15)8-16-13-6-7-13/h1-5,9-10,13,16H,6-8,11H2.
What are the key properties of N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine?
N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine has a molecular weight of 255.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 107381343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).