4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine

C15H18FN2OP — CID 169174690

IUPAC4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
SMILESCCP(C)(=O)c1ccncc1Nc1ccc(C)cc1F
InChIInChI=1S/C15H18FN2OP/c1-4-20(3,19)15-7-8-17-10-14(15)18-13-6-5-11(2)9-12(13)16/h5-10,18H,4H2,1-3H3
InChIKeyOTOZTEABLWAGKR-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.91
Rot. Bonds4

About 4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine

4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine (PubChem CID 169174690) has the molecular formula C15H18FN2OP and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
PubChem CID169174690
Molecular FormulaC15H18FN2OP
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
SMILESCCP(C)(=O)c1ccncc1Nc1ccc(C)cc1F
InChIInChI=1S/C15H18FN2OP/c1-4-20(3,19)15-7-8-17-10-14(15)18-13-6-5-11(2)9-12(13)16/h5-10,18H,4H2,1-3H3
InChIKeyOTOZTEABLWAGKR-UHFFFAOYSA-N
XLogP3.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
CID 143220406
4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174678
4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174670
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 176938978
3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide
CID 143220470
methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate
CID 143567541
3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide
CID 11532734
[3-(4-bromo-2-fluoroanilino)-4-pyridinyl]-ethyl-oxophosphanium
CID 170193447
4-N-(2-fluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80754909
N-(2-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 91756465
2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide
CID 143220419

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine?
The IUPAC name of 4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine (CID 169174690) is 4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine.
What is the SMILES notation for 4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine?
The canonical SMILES for 4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine is CCP(C)(=O)c1ccncc1Nc1ccc(C)cc1F.
What is the InChIKey of 4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine?
The InChIKey is OTOZTEABLWAGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN2OP/c1-4-20(3,19)15-7-8-17-10-14(15)18-13-6-5-11(2)9-12(13)16/h5-10,18H,4H2,1-3H3.
What are the key properties of 4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine?
4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine has a molecular weight of 292.29 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine is sourced from PubChem (CID 169174690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).