N-methyl-1-(3-pyridin-3-ylphenyl)methanamine

C13H14N2 — CID 7060576

IUPACN-methyl-1-(3-pyridin-3-ylphenyl)methanamine
SMILESCNCc1cccc(-c2cccnc2)c1
InChIInChI=1S/C13H14N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2-8,10,14H,9H2,1H3
InChIKeyLZJRRTLTBULOHU-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.47
Rot. Bonds3

About N-methyl-1-(3-pyridin-3-ylphenyl)methanamine

N-methyl-1-(3-pyridin-3-ylphenyl)methanamine (PubChem CID 7060576) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-methyl-1-(3-pyridin-3-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-pyridin-3-ylphenyl)methanamine
PubChem CID7060576
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC NameN-methyl-1-(3-pyridin-3-ylphenyl)methanamine
SMILESCNCc1cccc(-c2cccnc2)c1
InChIInChI=1S/C13H14N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2-8,10,14H,9H2,1H3
InChIKeyLZJRRTLTBULOHU-UHFFFAOYSA-N
XLogP2.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-(3-pyridin-3-ylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-pyridin-3-ylphenyl)methanamine?
The IUPAC name of N-methyl-1-(3-pyridin-3-ylphenyl)methanamine (CID 7060576) is N-methyl-1-(3-pyridin-3-ylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-pyridin-3-ylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-pyridin-3-ylphenyl)methanamine is CNCc1cccc(-c2cccnc2)c1.
What is the InChIKey of N-methyl-1-(3-pyridin-3-ylphenyl)methanamine?
The InChIKey is LZJRRTLTBULOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2-8,10,14H,9H2,1H3.
What are the key properties of N-methyl-1-(3-pyridin-3-ylphenyl)methanamine?
N-methyl-1-(3-pyridin-3-ylphenyl)methanamine has a molecular weight of 198.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-pyridin-3-ylphenyl)methanamine is sourced from PubChem (CID 7060576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).