1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine

C15H16N2 — CID 146539570

IUPAC1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine
SMILESC=C(N)c1cc(-c2ccnc(C)c2)ccc1C
InChIInChI=1S/C15H16N2/c1-10-4-5-13(9-15(10)12(3)16)14-6-7-17-11(2)8-14/h4-9H,3,16H2,1-2H3
InChIKeyXJRHZSRBKNPQIM-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.29
Rot. Bonds2

About 1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine

1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine (PubChem CID 146539570) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine.

Molecular Properties

Compound Name1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine
PubChem CID146539570
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine
SMILESC=C(N)c1cc(-c2ccnc(C)c2)ccc1C
InChIInChI=1S/C15H16N2/c1-10-4-5-13(9-15(10)12(3)16)14-6-7-17-11(2)8-14/h4-9H,3,16H2,1-2H3
InChIKeyXJRHZSRBKNPQIM-UHFFFAOYSA-N
XLogP3.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine 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 1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine?
The IUPAC name of 1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine (CID 146539570) is 1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine.
What is the SMILES notation for 1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine?
The canonical SMILES for 1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine is C=C(N)c1cc(-c2ccnc(C)c2)ccc1C.
What is the InChIKey of 1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine?
The InChIKey is XJRHZSRBKNPQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-10-4-5-13(9-15(10)12(3)16)14-6-7-17-11(2)8-14/h4-9H,3,16H2,1-2H3.
What are the key properties of 1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine?
1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine has a molecular weight of 224.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]ethenamine is sourced from PubChem (CID 146539570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).