2-methyl-N-(3-pyridin-2-ylpropyl)aniline

C15H18N2 — CID 83456107

IUPAC2-methyl-N-(3-pyridin-2-ylpropyl)aniline
SMILESCc1ccccc1NCCCc1ccccn1
InChIInChI=1S/C15H18N2/c1-13-7-2-3-10-15(13)17-12-6-9-14-8-4-5-11-16-14/h2-5,7-8,10-11,17H,6,9,12H2,1H3
InChIKeyVECVGUFPFKQVSQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.43
Rot. Bonds5

About 2-methyl-N-(3-pyridin-2-ylpropyl)aniline

2-methyl-N-(3-pyridin-2-ylpropyl)aniline (PubChem CID 83456107) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-N-(3-pyridin-2-ylpropyl)aniline.

Molecular Properties

Compound Name2-methyl-N-(3-pyridin-2-ylpropyl)aniline
PubChem CID83456107
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-methyl-N-(3-pyridin-2-ylpropyl)aniline
SMILESCc1ccccc1NCCCc1ccccn1
InChIInChI=1S/C15H18N2/c1-13-7-2-3-10-15(13)17-12-6-9-14-8-4-5-11-16-14/h2-5,7-8,10-11,17H,6,9,12H2,1H3
InChIKeyVECVGUFPFKQVSQ-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-pyridin-2-ylpropyl)aniline?
The IUPAC name of 2-methyl-N-(3-pyridin-2-ylpropyl)aniline (CID 83456107) is 2-methyl-N-(3-pyridin-2-ylpropyl)aniline.
What is the SMILES notation for 2-methyl-N-(3-pyridin-2-ylpropyl)aniline?
The canonical SMILES for 2-methyl-N-(3-pyridin-2-ylpropyl)aniline is Cc1ccccc1NCCCc1ccccn1.
What is the InChIKey of 2-methyl-N-(3-pyridin-2-ylpropyl)aniline?
The InChIKey is VECVGUFPFKQVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-13-7-2-3-10-15(13)17-12-6-9-14-8-4-5-11-16-14/h2-5,7-8,10-11,17H,6,9,12H2,1H3.
What are the key properties of 2-methyl-N-(3-pyridin-2-ylpropyl)aniline?
2-methyl-N-(3-pyridin-2-ylpropyl)aniline has a molecular weight of 226.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-pyridin-2-ylpropyl)aniline is sourced from PubChem (CID 83456107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).