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

C16H23N3O — CID 83986997

IUPAC2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
SMILESCOc1ccc(C)cc1C(CN)c1cc(C(C)C)n[nH]1
InChIInChI=1S/C16H23N3O/c1-10(2)14-8-15(19-18-14)13(9-17)12-7-11(3)5-6-16(12)20-4/h5-8,10,13H,9,17H2,1-4H3,(H,18,19)
InChIKeyOOCXYMJTLIMUQX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.94
Rot. Bonds5

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

2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine (PubChem CID 83986997) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
PubChem CID83986997
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
SMILESCOc1ccc(C)cc1C(CN)c1cc(C(C)C)n[nH]1
InChIInChI=1S/C16H23N3O/c1-10(2)14-8-15(19-18-14)13(9-17)12-7-11(3)5-6-16(12)20-4/h5-8,10,13H,9,17H2,1-4H3,(H,18,19)
InChIKeyOOCXYMJTLIMUQX-UHFFFAOYSA-N
XLogP2.94
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 82023273
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048
2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 83986936
[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666
2-[fluoro-(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine
CID 107443810
2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene
CID 13450101
1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82283769
2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
CID 83986563
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82474858
2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904
2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
CID 83986824

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine (CID 83986997) is 2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine is COc1ccc(C)cc1C(CN)c1cc(C(C)C)n[nH]1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
The InChIKey is OOCXYMJTLIMUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10(2)14-8-15(19-18-14)13(9-17)12-7-11(3)5-6-16(12)20-4/h5-8,10,13H,9,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 83986997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).