2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine

C15H21N3 — CID 102804306

IUPAC2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1cccc(C)c1CC(N)c1cn(C)nc1C
InChIInChI=1S/C15H21N3/c1-10-6-5-7-11(2)13(10)8-15(16)14-9-18(4)17-12(14)3/h5-7,9,15H,8,16H2,1-4H3
InChIKeyXPBWBAUMRCYXTF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.59
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine

2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine (PubChem CID 102804306) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
PubChem CID102804306
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1cccc(C)c1CC(N)c1cn(C)nc1C
InChIInChI=1S/C15H21N3/c1-10-6-5-7-11(2)13(10)8-15(16)14-9-18(4)17-12(14)3/h5-7,9,15H,8,16H2,1-4H3
InChIKeyXPBWBAUMRCYXTF-UHFFFAOYSA-N
XLogP2.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803154
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 102804305
1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine
CID 102803171
2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803032
2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091814
2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803075
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 102803970
2-(2,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803231
(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
CID 83089212
2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82895312
2-(3-chloro-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 103042987
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 102803133

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine (CID 102804306) is 2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine is Cc1cccc(C)c1CC(N)c1cn(C)nc1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is XPBWBAUMRCYXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-6-5-7-11(2)13(10)8-15(16)14-9-18(4)17-12(14)3/h5-7,9,15H,8,16H2,1-4H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 102804306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).