1-phenyl-N-(pyridin-2-ylmethyl)methanamine

C13H14N2 — CID 795879

IUPAC1-phenyl-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C13H14N2/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h1-9,14H,10-11H2
InChIKeyRRLRWANEZGPBAD-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.37
Rot. Bonds4

About 1-phenyl-N-(pyridin-2-ylmethyl)methanamine

1-phenyl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 795879) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-phenyl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-phenyl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID795879
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name1-phenyl-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C13H14N2/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h1-9,14H,10-11H2
InChIKeyRRLRWANEZGPBAD-UHFFFAOYSA-N
XLogP2.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-phenyl-N-(pyridin-2-ylmethyl)methanamine (CID 795879) is 1-phenyl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-phenyl-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CNCc2ccccn2)cc1.
What is the InChIKey of 1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is RRLRWANEZGPBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h1-9,14H,10-11H2.
What are the key properties of 1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
1-phenyl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 198.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 795879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).