1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine

C15H18N2 — CID 82452485

IUPAC1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine
SMILESCc1ccc(-c2ccc(C(C)N)c(C)n2)cc1
InChIInChI=1S/C15H18N2/c1-10-4-6-13(7-5-10)15-9-8-14(11(2)16)12(3)17-15/h4-9,11H,16H2,1-3H3
InChIKeyQZPJVDIKPTYAMN-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.39
Rot. Bonds2

About 1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine

1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine (PubChem CID 82452485) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine
PubChem CID82452485
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine
SMILESCc1ccc(-c2ccc(C(C)N)c(C)n2)cc1
InChIInChI=1S/C15H18N2/c1-10-4-6-13(7-5-10)15-9-8-14(11(2)16)12(3)17-15/h4-9,11H,16H2,1-3H3
InChIKeyQZPJVDIKPTYAMN-UHFFFAOYSA-N
XLogP3.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine?
The IUPAC name of 1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine (CID 82452485) is 1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine?
The canonical SMILES for 1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine is Cc1ccc(-c2ccc(C(C)N)c(C)n2)cc1.
What is the InChIKey of 1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine?
The InChIKey is QZPJVDIKPTYAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-10-4-6-13(7-5-10)15-9-8-14(11(2)16)12(3)17-15/h4-9,11H,16H2,1-3H3.
What are the key properties of 1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine?
1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine has a molecular weight of 226.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 82452485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).