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

C16H21N3O — CID 107381797

IUPACN-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCc1cc(C)cc(Oc2cnc(CNC(C)C)cn2)c1
InChIInChI=1S/C16H21N3O/c1-11(2)17-8-14-9-19-16(10-18-14)20-15-6-12(3)5-13(4)7-15/h5-7,9-11,17H,8H2,1-4H3
InChIKeyXOQYKMHAZQCVHK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.38
Rot. Bonds5

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

N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 107381797) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID107381797
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCc1cc(C)cc(Oc2cnc(CNC(C)C)cn2)c1
InChIInChI=1S/C16H21N3O/c1-11(2)17-8-14-9-19-16(10-18-14)20-15-6-12(3)5-13(4)7-15/h5-7,9-11,17H,8H2,1-4H3
InChIKeyXOQYKMHAZQCVHK-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107382104
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381795
[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol
CID 107373077
N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381682
N-[[5-(2,4,5-trichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381657
N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381790
N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107382383
N-[[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrazin-2-yl]methyl]propan-2-amine
CID 107381427
N-[[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381639
N-[[5-(1-methylpiperidin-4-yl)oxypyrazin-2-yl]methyl]propan-2-amine
CID 107381290
N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine
CID 107381579
N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382024

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine (CID 107381797) is N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine is Cc1cc(C)cc(Oc2cnc(CNC(C)C)cn2)c1.
What is the InChIKey of N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is XOQYKMHAZQCVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)17-8-14-9-19-16(10-18-14)20-15-6-12(3)5-13(4)7-15/h5-7,9-11,17H,8H2,1-4H3.
What are the key properties of N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine?
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.38, 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]propan-2-amine is sourced from PubChem (CID 107381797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).