1-phenyl-2-phosphorosooxyethanamine;hydrobromide

C8H11BrNO2P — CID 67710808

IUPAC1-phenyl-2-phosphorosooxyethanamine;hydrobromide
SMILESBr.NC(COP=O)c1ccccc1
InChIInChI=1S/C8H10NO2P.BrH/c9-8(6-11-12-10)7-4-2-1-3-5-7;/h1-5,8H,6,9H2;1H
InChIKeyIAFWYUIBMXEJET-UHFFFAOYSA-N
MW264.06 g/mol
LogP2.49
Rot. Bonds4

About 1-phenyl-2-phosphorosooxyethanamine;hydrobromide

1-phenyl-2-phosphorosooxyethanamine;hydrobromide (PubChem CID 67710808) has the molecular formula C8H11BrNO2P and a molecular weight of 264.06 g/mol. Its IUPAC name is 1-phenyl-2-phosphorosooxyethanamine;hydrobromide.

Molecular Properties

Compound Name1-phenyl-2-phosphorosooxyethanamine;hydrobromide
PubChem CID67710808
Molecular FormulaC8H11BrNO2P
Molecular Weight264.06 g/mol
Exact Mass262.97
IUPAC Name1-phenyl-2-phosphorosooxyethanamine;hydrobromide
SMILESBr.NC(COP=O)c1ccccc1
InChIInChI=1S/C8H10NO2P.BrH/c9-8(6-11-12-10)7-4-2-1-3-5-7;/h1-5,8H,6,9H2;1H
InChIKeyIAFWYUIBMXEJET-UHFFFAOYSA-N
XLogP2.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 52.49
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;hydrobromide?
The IUPAC name of 1-phenyl-2-phosphorosooxyethanamine;hydrobromide (CID 67710808) is 1-phenyl-2-phosphorosooxyethanamine;hydrobromide.
What is the SMILES notation for 1-phenyl-2-phosphorosooxyethanamine;hydrobromide?
The canonical SMILES for 1-phenyl-2-phosphorosooxyethanamine;hydrobromide is Br.NC(COP=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-phosphorosooxyethanamine;hydrobromide?
The InChIKey is IAFWYUIBMXEJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO2P.BrH/c9-8(6-11-12-10)7-4-2-1-3-5-7;/h1-5,8H,6,9H2;1H.
What are the key properties of 1-phenyl-2-phosphorosooxyethanamine;hydrobromide?
1-phenyl-2-phosphorosooxyethanamine;hydrobromide has a molecular weight of 264.06 g/mol, XLogP of 2.49, 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;hydrobromide is sourced from PubChem (CID 67710808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).