2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine

C13H17N3 — CID 115029255

IUPAC2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCc1ccccc1C(CN)c1ccnn1C
InChIInChI=1S/C13H17N3/c1-10-5-3-4-6-11(10)12(9-14)13-7-8-15-16(13)2/h3-8,12H,9,14H2,1-2H3
InChIKeyYAKSCSBVBNQRMG-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.82
Rot. Bonds3

About 2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine

2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 115029255) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine
PubChem CID115029255
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCc1ccccc1C(CN)c1ccnn1C
InChIInChI=1S/C13H17N3/c1-10-5-3-4-6-11(10)12(9-14)13-7-8-15-16(13)2/h3-8,12H,9,14H2,1-2H3
InChIKeyYAKSCSBVBNQRMG-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine (CID 115029255) is 2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine is Cc1ccccc1C(CN)c1ccnn1C.
What is the InChIKey of 2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is YAKSCSBVBNQRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-5-3-4-6-11(10)12(9-14)13-7-8-15-16(13)2/h3-8,12H,9,14H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine?
2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 215.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 115029255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).