2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde

C15H16N2O — CID 143075299

IUPAC2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde
SMILESCNCc1cc(-c2cccc(C)n2)ccc1C=O
InChIInChI=1S/C15H16N2O/c1-11-4-3-5-15(17-11)12-6-7-13(10-18)14(8-12)9-16-2/h3-8,10,16H,9H2,1-2H3
InChIKeyBRHCJBKPVQBPIH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.59
Rot. Bonds4

About 2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde

2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde (PubChem CID 143075299) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde
PubChem CID143075299
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde
SMILESCNCc1cc(-c2cccc(C)n2)ccc1C=O
InChIInChI=1S/C15H16N2O/c1-11-4-3-5-15(17-11)12-6-7-13(10-18)14(8-12)9-16-2/h3-8,10,16H,9H2,1-2H3
InChIKeyBRHCJBKPVQBPIH-UHFFFAOYSA-N
XLogP2.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde?
The IUPAC name of 2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde (CID 143075299) is 2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde.
What is the SMILES notation for 2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde?
The canonical SMILES for 2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde is CNCc1cc(-c2cccc(C)n2)ccc1C=O.
What is the InChIKey of 2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde?
The InChIKey is BRHCJBKPVQBPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-4-3-5-15(17-11)12-6-7-13(10-18)14(8-12)9-16-2/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde?
2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde has a molecular weight of 240.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-4-(6-methyl-2-pyridinyl)benzaldehyde is sourced from PubChem (CID 143075299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).