1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine

C13H15N2+ — CID 170230051

IUPAC1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine
SMILESCc1ccccc1Nc1cccc[n+]1C
InChIInChI=1S/C13H14N2/c1-11-7-3-4-8-12(11)14-13-9-5-6-10-15(13)2/h3-10H,1-2H3/p+1
InChIKeyFUMXYCONZAHFSF-UHFFFAOYSA-O
MW199.28 g/mol
LogP2.56
Rot. Bonds2

About 1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine

1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine (PubChem CID 170230051) has the molecular formula C13H15N2+ and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine
PubChem CID170230051
Molecular FormulaC13H15N2+
Molecular Weight199.28 g/mol
Exact Mass199.12
IUPAC Name1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine
SMILESCc1ccccc1Nc1cccc[n+]1C
InChIInChI=1S/C13H14N2/c1-11-7-3-4-8-12(11)14-13-9-5-6-10-15(13)2/h3-10H,1-2H3/p+1
InChIKeyFUMXYCONZAHFSF-UHFFFAOYSA-O
XLogP2.56
TPSA15.91 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine
CID 170230055
2,4,5-trimethyl-N-(2-methylphenyl)aniline
CID 142357624
N,2-dimethylaniline
CID 163768915
1,2-dimethylpyridin-1-ium;methane
CID 162122842
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
1,2,3-trimethylpyridin-1-ium;hydrobromide
CID 18985420
N,N'-bis(1-methylpyridin-1-ium-2-yl)methanimidamide
CID 102171629
2-methyl-N-[4-(2-methylphenyl)phenyl]aniline
CID 144650096
1-methyl-2-(2-methylphenoxy)pyridin-1-ium
CID 147396926
N-(2-methylphenyl)-1H-indazol-3-amine
CID 59097627
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine?
The IUPAC name of 1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine (CID 170230051) is 1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine.
What is the SMILES notation for 1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine?
The canonical SMILES for 1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine is Cc1ccccc1Nc1cccc[n+]1C.
What is the InChIKey of 1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine?
The InChIKey is FUMXYCONZAHFSF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H14N2/c1-11-7-3-4-8-12(11)14-13-9-5-6-10-15(13)2/h3-10H,1-2H3/p+1.
What are the key properties of 1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine?
1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine has a molecular weight of 199.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine is sourced from PubChem (CID 170230051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).