1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine

C14H19N — CID 14743021

IUPAC1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine
SMILESCc1ccccc1CC1=CCN(C)CC1
InChIInChI=1S/C14H19N/c1-12-5-3-4-6-14(12)11-13-7-9-15(2)10-8-13/h3-7H,8-11H2,1-2H3
InChIKeyUNXLQMKQNKUYFZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.80
Rot. Bonds2

About 1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine

1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 14743021) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID14743021
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine
SMILESCc1ccccc1CC1=CCN(C)CC1
InChIInChI=1S/C14H19N/c1-12-5-3-4-6-14(12)11-13-7-9-15(2)10-8-13/h3-7H,8-11H2,1-2H3
InChIKeyUNXLQMKQNKUYFZ-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine (CID 14743021) is 1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine is Cc1ccccc1CC1=CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is UNXLQMKQNKUYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-12-5-3-4-6-14(12)11-13-7-9-15(2)10-8-13/h3-7H,8-11H2,1-2H3.
What are the key properties of 1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine?
1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 201.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14743021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).