2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine

C17H25N3O — CID 46982805

IUPAC2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
SMILESCCN(CCOc1c(C)cccc1C)Cc1cc(C)[nH]n1
InChIInChI=1S/C17H25N3O/c1-5-20(12-16-11-15(4)18-19-16)9-10-21-17-13(2)7-6-8-14(17)3/h6-8,11H,5,9-10,12H2,1-4H3,(H,18,19)
InChIKeyRDRPKVLUVVMCCY-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.24
Rot. Bonds7

About 2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine

2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine (PubChem CID 46982805) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
PubChem CID46982805
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
SMILESCCN(CCOc1c(C)cccc1C)Cc1cc(C)[nH]n1
InChIInChI=1S/C17H25N3O/c1-5-20(12-16-11-15(4)18-19-16)9-10-21-17-13(2)7-6-8-14(17)3/h6-8,11H,5,9-10,12H2,1-4H3,(H,18,19)
InChIKeyRDRPKVLUVVMCCY-UHFFFAOYSA-N
XLogP3.24
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine (CID 46982805) is 2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine is CCN(CCOc1c(C)cccc1C)Cc1cc(C)[nH]n1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The InChIKey is RDRPKVLUVVMCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-20(12-16-11-15(4)18-19-16)9-10-21-17-13(2)7-6-8-14(17)3/h6-8,11H,5,9-10,12H2,1-4H3,(H,18,19).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 46982805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).