N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine

C14H17N2O3P — CID 5003492

IUPACN-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine
SMILESCOP(=O)(OC)C(Nc1ccccn1)c1ccccc1
InChIInChI=1S/C14H17N2O3P/c1-18-20(17,19-2)14(12-8-4-3-5-9-12)16-13-10-6-7-11-15-13/h3-11,14H,1-2H3,(H,15,16)
InChIKeyGENJVFZMLOTKPR-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.68
Rot. Bonds6

About N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine

N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine (PubChem CID 5003492) has the molecular formula C14H17N2O3P and a molecular weight of 292.28 g/mol. Its IUPAC name is N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine
PubChem CID5003492
Molecular FormulaC14H17N2O3P
Molecular Weight292.28 g/mol
Exact Mass292.10
IUPAC NameN-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine
SMILESCOP(=O)(OC)C(Nc1ccccn1)c1ccccc1
InChIInChI=1S/C14H17N2O3P/c1-18-20(17,19-2)14(12-8-4-3-5-9-12)16-13-10-6-7-11-15-13/h3-11,14H,1-2H3,(H,15,16)
InChIKeyGENJVFZMLOTKPR-UHFFFAOYSA-N
XLogP3.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
CID 102268915
N-[dimethoxyphosphoryl(phenyl)methyl]-4-ethoxyaniline
CID 630631
(2S)-N-[(S)-dimethoxyphosphoryl(phenyl)methyl]-3,3-dimethylbutan-2-amine
CID 50924024
[phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate
CID 142659423
N-[1-(3-methylphenyl)ethyl]pyridin-2-amine
CID 115916909
(2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid
CID 118492943
methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
CID 62005676
1-(pyridin-2-ylamino)ethanol
CID 20521375
N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine
CID 59533491
2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride
CID 70348749
N-[bis(phosphanyl)methyl]pyridin-2-amine
CID 118465849
1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine
CID 101448203

Frequently Asked Questions

What is the IUPAC name of N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine?
The IUPAC name of N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine (CID 5003492) is N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine?
The canonical SMILES for N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine is COP(=O)(OC)C(Nc1ccccn1)c1ccccc1.
What is the InChIKey of N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine?
The InChIKey is GENJVFZMLOTKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2O3P/c1-18-20(17,19-2)14(12-8-4-3-5-9-12)16-13-10-6-7-11-15-13/h3-11,14H,1-2H3,(H,15,16).
What are the key properties of N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine?
N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine has a molecular weight of 292.28 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 5003492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).