N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine

C16H21N3O — CID 107381985

IUPACN-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2c(C)ccc(C)c2C)cn1
InChIInChI=1S/C16H21N3O/c1-5-17-8-14-9-19-15(10-18-14)20-16-12(3)7-6-11(2)13(16)4/h6-7,9-10,17H,5,8H2,1-4H3
InChIKeyUXSJYRWMGCZQTM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.30
Rot. Bonds5

About N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine

N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine (PubChem CID 107381985) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine
PubChem CID107381985
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2c(C)ccc(C)c2C)cn1
InChIInChI=1S/C16H21N3O/c1-5-17-8-14-9-19-15(10-18-14)20-16-12(3)7-6-11(2)13(16)4/h6-7,9-10,17H,5,8H2,1-4H3
InChIKeyUXSJYRWMGCZQTM-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine
CID 107381984
N-[[5-(2,6-dimethoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381670
N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381915
N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382000
N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381649
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382235
N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62322224
N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine
CID 105406973
N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381790
N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381360
N-[[1-[2-(2,3,6-trimethylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 62485328
N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381682

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine (CID 107381985) is N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine is CCNCc1cnc(Oc2c(C)ccc(C)c2C)cn1.
What is the InChIKey of N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine?
The InChIKey is UXSJYRWMGCZQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-17-8-14-9-19-15(10-18-14)20-16-12(3)7-6-11(2)13(16)4/h6-7,9-10,17H,5,8H2,1-4H3.
What are the key properties of N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine?
N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 107381985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).