2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine

C15H21N3O — CID 103464752

IUPAC2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
SMILESCOCC(NCCc1ccnn1C)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-18-14(9-11-17-18)8-10-16-15(12-19-2)13-6-4-3-5-7-13/h3-7,9,11,15-16H,8,10,12H2,1-2H3
InChIKeyKGRFNQNATYQXIO-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.94
Rot. Bonds7

About 2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine

2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine (PubChem CID 103464752) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
PubChem CID103464752
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
SMILESCOCC(NCCc1ccnn1C)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-18-14(9-11-17-18)8-10-16-15(12-19-2)13-6-4-3-5-7-13/h3-7,9,11,15-16H,8,10,12H2,1-2H3
InChIKeyKGRFNQNATYQXIO-UHFFFAOYSA-N
XLogP1.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 106159828
2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine
CID 103913604
N-[2-(2-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104693843
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine
CID 107876456
(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103001774
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 122139558
2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine
CID 103464013
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104695143
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine?
The IUPAC name of 2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine (CID 103464752) is 2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine.
What is the SMILES notation for 2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine?
The canonical SMILES for 2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine is COCC(NCCc1ccnn1C)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine?
The InChIKey is KGRFNQNATYQXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-14(9-11-17-18)8-10-16-15(12-19-2)13-6-4-3-5-7-13/h3-7,9,11,15-16H,8,10,12H2,1-2H3.
What are the key properties of 2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine?
2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine has a molecular weight of 259.35 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 103464752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).