1-[amino(phenyl)phosphoryl]-2-methoxybenzene

C13H14NO2P — CID 122224691

IUPAC1-[amino(phenyl)phosphoryl]-2-methoxybenzene
SMILESCOc1ccccc1[P@](N)(=O)c1ccccc1
InChIInChI=1S/C13H14NO2P/c1-16-12-9-5-6-10-13(12)17(14,15)11-7-3-2-4-8-11/h2-10H,1H3,(H2,14,15)/t17-/m1/s1
InChIKeyQQRWXXVLZZFYES-QGZVFWFLSA-N
MW247.23 g/mol
LogP1.88
Rot. Bonds3

About 1-[amino(phenyl)phosphoryl]-2-methoxybenzene

1-[amino(phenyl)phosphoryl]-2-methoxybenzene (PubChem CID 122224691) has the molecular formula C13H14NO2P and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-[amino(phenyl)phosphoryl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[amino(phenyl)phosphoryl]-2-methoxybenzene
PubChem CID122224691
Molecular FormulaC13H14NO2P
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name1-[amino(phenyl)phosphoryl]-2-methoxybenzene
SMILESCOc1ccccc1[P@](N)(=O)c1ccccc1
InChIInChI=1S/C13H14NO2P/c1-16-12-9-5-6-10-13(12)17(14,15)11-7-3-2-4-8-11/h2-10H,1H3,(H2,14,15)/t17-/m1/s1
InChIKeyQQRWXXVLZZFYES-QGZVFWFLSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(phenyl)phosphoryl]-2-methoxybenzene?
The IUPAC name of 1-[amino(phenyl)phosphoryl]-2-methoxybenzene (CID 122224691) is 1-[amino(phenyl)phosphoryl]-2-methoxybenzene.
What is the SMILES notation for 1-[amino(phenyl)phosphoryl]-2-methoxybenzene?
The canonical SMILES for 1-[amino(phenyl)phosphoryl]-2-methoxybenzene is COc1ccccc1[P@](N)(=O)c1ccccc1.
What is the InChIKey of 1-[amino(phenyl)phosphoryl]-2-methoxybenzene?
The InChIKey is QQRWXXVLZZFYES-QGZVFWFLSA-N. The full InChI is InChI=1S/C13H14NO2P/c1-16-12-9-5-6-10-13(12)17(14,15)11-7-3-2-4-8-11/h2-10H,1H3,(H2,14,15)/t17-/m1/s1.
What are the key properties of 1-[amino(phenyl)phosphoryl]-2-methoxybenzene?
1-[amino(phenyl)phosphoryl]-2-methoxybenzene has a molecular weight of 247.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(phenyl)phosphoryl]-2-methoxybenzene is sourced from PubChem (CID 122224691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).