2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine

C14H19N3O — CID 83986824

IUPAC2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
SMILESCOc1ccc(C(CN)c2cc(C)[nH]n2)cc1C
InChIInChI=1S/C14H19N3O/c1-9-6-11(4-5-14(9)18-3)12(8-15)13-7-10(2)16-17-13/h4-7,12H,8,15H2,1-3H3,(H,16,17)
InChIKeyDSVBRUSHLMDJQR-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.13
Rot. Bonds4

About 2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine

2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine (PubChem CID 83986824) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
PubChem CID83986824
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
SMILESCOc1ccc(C(CN)c2cc(C)[nH]n2)cc1C
InChIInChI=1S/C14H19N3O/c1-9-6-11(4-5-14(9)18-3)12(8-15)13-7-10(2)16-17-13/h4-7,12H,8,15H2,1-3H3,(H,16,17)
InChIKeyDSVBRUSHLMDJQR-UHFFFAOYSA-N
XLogP2.13
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
CID 83986652
2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83986834
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 83986828
2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
CID 83986832
3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 22339839
2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine
CID 83986850
2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 83986425
3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 116911674
2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
CID 83986997
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983095
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine (CID 83986824) is 2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine is COc1ccc(C(CN)c2cc(C)[nH]n2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine?
The InChIKey is DSVBRUSHLMDJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-6-11(4-5-14(9)18-3)12(8-15)13-7-10(2)16-17-13/h4-7,12H,8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine?
2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine is sourced from PubChem (CID 83986824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).