phenyl(phosphorosooxy)methanamine

C7H8NO2P — CID 70172052

IUPACphenyl(phosphorosooxy)methanamine
SMILESNC(OP=O)c1ccccc1
InChIInChI=1S/C7H8NO2P/c8-7(10-11-9)6-4-2-1-3-5-6/h1-5,7H,8H2
InChIKeySTAINYRCHZUYJL-UHFFFAOYSA-N
MW169.12 g/mol
LogP1.87
Rot. Bonds3

About phenyl(phosphorosooxy)methanamine

phenyl(phosphorosooxy)methanamine (PubChem CID 70172052) has the molecular formula C7H8NO2P and a molecular weight of 169.12 g/mol. Its IUPAC name is phenyl(phosphorosooxy)methanamine.

Molecular Properties

Compound Namephenyl(phosphorosooxy)methanamine
PubChem CID70172052
Molecular FormulaC7H8NO2P
Molecular Weight169.12 g/mol
Exact Mass169.03
IUPAC Namephenyl(phosphorosooxy)methanamine
SMILESNC(OP=O)c1ccccc1
InChIInChI=1S/C7H8NO2P/c8-7(10-11-9)6-4-2-1-3-5-6/h1-5,7H,8H2
InChIKeySTAINYRCHZUYJL-UHFFFAOYSA-N
XLogP1.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.12
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl(phosphorosooxy)methanamine?
The IUPAC name of phenyl(phosphorosooxy)methanamine (CID 70172052) is phenyl(phosphorosooxy)methanamine.
What is the SMILES notation for phenyl(phosphorosooxy)methanamine?
The canonical SMILES for phenyl(phosphorosooxy)methanamine is NC(OP=O)c1ccccc1.
What is the InChIKey of phenyl(phosphorosooxy)methanamine?
The InChIKey is STAINYRCHZUYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO2P/c8-7(10-11-9)6-4-2-1-3-5-6/h1-5,7H,8H2.
What are the key properties of phenyl(phosphorosooxy)methanamine?
phenyl(phosphorosooxy)methanamine has a molecular weight of 169.12 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(phosphorosooxy)methanamine is sourced from PubChem (CID 70172052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).