2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine

C16H23N3 — CID 63963537

IUPAC2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccc(C)c(C)c1)c1ccnn1C
InChIInChI=1S/C16H23N3/c1-5-17-15(16-8-9-18-19(16)4)11-14-7-6-12(2)13(3)10-14/h6-10,15,17H,5,11H2,1-4H3
InChIKeyULWJWAOQGAFSJY-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.93
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine

2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 63963537) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID63963537
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccc(C)c(C)c1)c1ccnn1C
InChIInChI=1S/C16H23N3/c1-5-17-15(16-8-9-18-19(16)4)11-14-7-6-12(2)13(3)10-14/h6-10,15,17H,5,11H2,1-4H3
InChIKeyULWJWAOQGAFSJY-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963538
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105121981
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687598
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273352
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985
N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105377437
N,3-diethyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105176670
2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152951
2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960987
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63411934
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63962680
N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137661

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine (CID 63963537) is 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine is CCNC(Cc1ccc(C)c(C)c1)c1ccnn1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is ULWJWAOQGAFSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-17-15(16-8-9-18-19(16)4)11-14-7-6-12(2)13(3)10-14/h6-10,15,17H,5,11H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine?
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 63963537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).