(1-amino-3-phenylpropyl)-hydroxy-oxophosphanium

C9H13NO2P+ — CID 10420292

IUPAC(1-amino-3-phenylpropyl)-hydroxy-oxophosphanium
SMILESNC(CCc1ccccc1)[P+](=O)O
InChIInChI=1S/C9H12NO2P/c10-9(13(11)12)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2/p+1
InChIKeyVFQSOJZIICDNES-UHFFFAOYSA-O
MW198.18 g/mol
LogP1.64
Rot. Bonds4

About (1-amino-3-phenylpropyl)-hydroxy-oxophosphanium

(1-amino-3-phenylpropyl)-hydroxy-oxophosphanium (PubChem CID 10420292) has the molecular formula C9H13NO2P+ and a molecular weight of 198.18 g/mol. Its IUPAC name is (1-amino-3-phenylpropyl)-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(1-amino-3-phenylpropyl)-hydroxy-oxophosphanium
PubChem CID10420292
Molecular FormulaC9H13NO2P+
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name(1-amino-3-phenylpropyl)-hydroxy-oxophosphanium
SMILESNC(CCc1ccccc1)[P+](=O)O
InChIInChI=1S/C9H12NO2P/c10-9(13(11)12)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2/p+1
InChIKeyVFQSOJZIICDNES-UHFFFAOYSA-O
XLogP1.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.64
H-Bond Donors ≤ 52
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-3-phenylpropyl)-hydroxy-oxophosphanium?
The IUPAC name of (1-amino-3-phenylpropyl)-hydroxy-oxophosphanium (CID 10420292) is (1-amino-3-phenylpropyl)-hydroxy-oxophosphanium.
What is the SMILES notation for (1-amino-3-phenylpropyl)-hydroxy-oxophosphanium?
The canonical SMILES for (1-amino-3-phenylpropyl)-hydroxy-oxophosphanium is NC(CCc1ccccc1)[P+](=O)O.
What is the InChIKey of (1-amino-3-phenylpropyl)-hydroxy-oxophosphanium?
The InChIKey is VFQSOJZIICDNES-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12NO2P/c10-9(13(11)12)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2/p+1.
What are the key properties of (1-amino-3-phenylpropyl)-hydroxy-oxophosphanium?
(1-amino-3-phenylpropyl)-hydroxy-oxophosphanium has a molecular weight of 198.18 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-phenylpropyl)-hydroxy-oxophosphanium is sourced from PubChem (CID 10420292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).