1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine

C15H21N3O2 — CID 104996048

IUPAC1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
SMILESCOc1cccc(OC)c1C(N)Cc1cc(C)nn1C
InChIInChI=1S/C15H21N3O2/c1-10-8-11(18(2)17-10)9-12(16)15-13(19-3)6-5-7-14(15)20-4/h5-8,12H,9,16H2,1-4H3
InChIKeyVGLBNAGVBJJYER-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.99
Rot. Bonds5

About 1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine

1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine (PubChem CID 104996048) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
PubChem CID104996048
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
SMILESCOc1cccc(OC)c1C(N)Cc1cc(C)nn1C
InChIInChI=1S/C15H21N3O2/c1-10-8-11(18(2)17-10)9-12(16)15-13(19-3)6-5-7-14(15)20-4/h5-8,12H,9,16H2,1-4H3
InChIKeyVGLBNAGVBJJYER-UHFFFAOYSA-N
XLogP1.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002556
1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 79522417
[2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252504
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 105000224
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304825
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 104996409
1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79617156
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105158554
1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996300
1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996375

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine (CID 104996048) is 1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine is COc1cccc(OC)c1C(N)Cc1cc(C)nn1C.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine?
The InChIKey is VGLBNAGVBJJYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-8-11(18(2)17-10)9-12(16)15-13(19-3)6-5-7-14(15)20-4/h5-8,12H,9,16H2,1-4H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine?
1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine has a molecular weight of 275.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104996048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).