[2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine

C14H16N2 — CID 82508499

IUPAC[2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine
SMILESCc1ccc(-c2ncccc2CN)cc1C
InChIInChI=1S/C14H16N2/c1-10-5-6-12(8-11(10)2)14-13(9-15)4-3-7-16-14/h3-8H,9,15H2,1-2H3
InChIKeyISGCFWFHRIDEGF-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.82
Rot. Bonds2

About [2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine

[2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine (PubChem CID 82508499) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine
PubChem CID82508499
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name[2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine
SMILESCc1ccc(-c2ncccc2CN)cc1C
InChIInChI=1S/C14H16N2/c1-10-5-6-12(8-11(10)2)14-13(9-15)4-3-7-16-14/h3-8H,9,15H2,1-2H3
InChIKeyISGCFWFHRIDEGF-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine (CID 82508499) is [2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine is Cc1ccc(-c2ncccc2CN)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine?
The InChIKey is ISGCFWFHRIDEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-5-6-12(8-11(10)2)14-13(9-15)4-3-7-16-14/h3-8H,9,15H2,1-2H3.
What are the key properties of [2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine?
[2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine has a molecular weight of 212.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 82508499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).