1-phenyl-2-phosphorosooxyethanamine

C8H10NO2P — CID 67710785

IUPAC1-phenyl-2-phosphorosooxyethanamine
SMILESNC(COP=O)c1ccccc1
InChIInChI=1S/C8H10NO2P/c9-8(6-11-12-10)7-4-2-1-3-5-7/h1-5,8H,6,9H2
InChIKeyUYGUUYXPQIGZAM-UHFFFAOYSA-N
MW183.15 g/mol
LogP1.91
Rot. Bonds4

About 1-phenyl-2-phosphorosooxyethanamine

1-phenyl-2-phosphorosooxyethanamine (PubChem CID 67710785) has the molecular formula C8H10NO2P and a molecular weight of 183.15 g/mol. Its IUPAC name is 1-phenyl-2-phosphorosooxyethanamine.

Molecular Properties

Compound Name1-phenyl-2-phosphorosooxyethanamine
PubChem CID67710785
Molecular FormulaC8H10NO2P
Molecular Weight183.15 g/mol
Exact Mass183.04
IUPAC Name1-phenyl-2-phosphorosooxyethanamine
SMILESNC(COP=O)c1ccccc1
InChIInChI=1S/C8H10NO2P/c9-8(6-11-12-10)7-4-2-1-3-5-7/h1-5,8H,6,9H2
InChIKeyUYGUUYXPQIGZAM-UHFFFAOYSA-N
XLogP1.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenyl-2-phosphorosooxyethanamine?
The IUPAC name of 1-phenyl-2-phosphorosooxyethanamine (CID 67710785) is 1-phenyl-2-phosphorosooxyethanamine.
What is the SMILES notation for 1-phenyl-2-phosphorosooxyethanamine?
The canonical SMILES for 1-phenyl-2-phosphorosooxyethanamine is NC(COP=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-phosphorosooxyethanamine?
The InChIKey is UYGUUYXPQIGZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO2P/c9-8(6-11-12-10)7-4-2-1-3-5-7/h1-5,8H,6,9H2.
What are the key properties of 1-phenyl-2-phosphorosooxyethanamine?
1-phenyl-2-phosphorosooxyethanamine has a molecular weight of 183.15 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-phosphorosooxyethanamine is sourced from PubChem (CID 67710785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).