N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine

C16H19N3O — CID 107381795

IUPACN-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(Oc2cnc(CNC3CC3)cn2)c1
InChIInChI=1S/C16H19N3O/c1-11-5-12(2)7-15(6-11)20-16-10-18-14(9-19-16)8-17-13-3-4-13/h5-7,9-10,13,17H,3-4,8H2,1-2H3
InChIKeyQZGBUTRUVLGWJP-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.14
Rot. Bonds5

About N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine

N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 107381795) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID107381795
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(Oc2cnc(CNC3CC3)cn2)c1
InChIInChI=1S/C16H19N3O/c1-11-5-12(2)7-15(6-11)20-16-10-18-14(9-19-16)8-17-13-3-4-13/h5-7,9-10,13,17H,3-4,8H2,1-2H3
InChIKeyQZGBUTRUVLGWJP-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381797
[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol
CID 107373077
N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382210
N-[[6-(3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636921
N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381473
N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine
CID 107381343
N-[(5-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 80708604
N-[[4-(3,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283085
N-[[6-(4-chloro-3,5-dimethylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62322068
4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
CID 62845689

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine (CID 107381795) is N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine is Cc1cc(C)cc(Oc2cnc(CNC3CC3)cn2)c1.
What is the InChIKey of N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is QZGBUTRUVLGWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-5-12(2)7-15(6-11)20-16-10-18-14(9-19-16)8-17-13-3-4-13/h5-7,9-10,13,17H,3-4,8H2,1-2H3.
What are the key properties of N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 269.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107381795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).