1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine

C14H16N2 — CID 1080485

IUPAC1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C14H16N2/c1-12-5-7-13(8-6-12)10-15-11-14-4-2-3-9-16-14/h2-9,15H,10-11H2,1H3
InChIKeyIBTJBQKFYIHFEV-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine

1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 1080485) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID1080485
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C14H16N2/c1-12-5-7-13(8-6-12)10-15-11-14-4-2-3-9-16-14/h2-9,15H,10-11H2,1H3
InChIKeyIBTJBQKFYIHFEV-UHFFFAOYSA-N
XLogP2.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine (CID 1080485) is 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine is Cc1ccc(CNCc2ccccn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is IBTJBQKFYIHFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-12-5-7-13(8-6-12)10-15-11-14-4-2-3-9-16-14/h2-9,15H,10-11H2,1H3.
What are the key properties of 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine?
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 212.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 1080485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).