1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one

C14H16N2O — CID 62881187

IUPAC1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one
SMILESCc1ccccc1C(N)Cn1ccc(=O)cc1
InChIInChI=1S/C14H16N2O/c1-11-4-2-3-5-13(11)14(15)10-16-8-6-12(17)7-9-16/h2-9,14H,10,15H2,1H3
InChIKeyIHIKAXUNDINNPF-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.86
Rot. Bonds3

About 1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one

1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one (PubChem CID 62881187) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one
PubChem CID62881187
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one
SMILESCc1ccccc1C(N)Cn1ccc(=O)cc1
InChIInChI=1S/C14H16N2O/c1-11-4-2-3-5-13(11)14(15)10-16-8-6-12(17)7-9-16/h2-9,14H,10,15H2,1H3
InChIKeyIHIKAXUNDINNPF-UHFFFAOYSA-N
XLogP1.86
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one
CID 62880332
1-[2-amino-2-(2-methylphenyl)ethyl]-3-methylimidazol-2-one
CID 80580385
1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one
CID 80581653
3-[2-amino-2-(2-methylphenyl)ethyl]pyrimidin-4-one
CID 63768478
2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 16787615
1-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16783373
2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one
CID 16784504
2-(2-ethylimidazol-1-yl)-1-(2-methylphenyl)ethanamine
CID 61402571
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 16795154
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine
CID 115559657
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
CID 171229467

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one?
The IUPAC name of 1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one (CID 62881187) is 1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one is Cc1ccccc1C(N)Cn1ccc(=O)cc1.
What is the InChIKey of 1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one?
The InChIKey is IHIKAXUNDINNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-4-2-3-5-13(11)14(15)10-16-8-6-12(17)7-9-16/h2-9,14H,10,15H2,1H3.
What are the key properties of 1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one?
1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one has a molecular weight of 228.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one is sourced from PubChem (CID 62881187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).