hydroxy(oxo)phosphanium;2-phenylethanamine

C8H13NO2P+ — CID 173363711

IUPAChydroxy(oxo)phosphanium;2-phenylethanamine
SMILESNCCc1ccccc1.O=[PH+]O
InChIInChI=1S/C8H11N.HO2P/c9-7-6-8-4-2-1-3-5-8;1-3-2/h1-5H,6-7,9H2;3H/p+1
InChIKeyADZPXQKYSLUOHK-UHFFFAOYSA-O
MW186.17 g/mol
LogP1.11
Rot. Bonds2

About hydroxy(oxo)phosphanium;2-phenylethanamine

hydroxy(oxo)phosphanium;2-phenylethanamine (PubChem CID 173363711) has the molecular formula C8H13NO2P+ and a molecular weight of 186.17 g/mol. Its IUPAC name is hydroxy(oxo)phosphanium;2-phenylethanamine.

Molecular Properties

Compound Namehydroxy(oxo)phosphanium;2-phenylethanamine
PubChem CID173363711
Molecular FormulaC8H13NO2P+
Molecular Weight186.17 g/mol
Exact Mass186.07
IUPAC Namehydroxy(oxo)phosphanium;2-phenylethanamine
SMILESNCCc1ccccc1.O=[PH+]O
InChIInChI=1S/C8H11N.HO2P/c9-7-6-8-4-2-1-3-5-8;1-3-2/h1-5H,6-7,9H2;3H/p+1
InChIKeyADZPXQKYSLUOHK-UHFFFAOYSA-O
XLogP1.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;2-phenylethanamine
CID 23506485
formic acid;2-phenylethanamine
CID 174535099
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
perchloric acid;2-phenylethanamine
CID 71364418
dichlorocopper;2-phenylethanamine;hydrochloride
CID 174793680
hydroxy(oxo)phosphanium;phenylmethanol
CID 173314603
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635
N,N-diethylethanamine;2-phenylethanamine
CID 67440073
benzene;3-phenylpropan-1-amine
CID 174865683
2-phenylethanamine;3-sulfinopropanoic acid
CID 21155030
3-methylbut-2-enoyl chloride;2-phenylethanamine
CID 158406537
5-(4-carboxybutanoyloxy)-5-oxopentanoic acid;bis(2-phenylethanamine)
CID 23291525

Frequently Asked Questions

What is the IUPAC name of hydroxy(oxo)phosphanium;2-phenylethanamine?
The IUPAC name of hydroxy(oxo)phosphanium;2-phenylethanamine (CID 173363711) is hydroxy(oxo)phosphanium;2-phenylethanamine.
What is the SMILES notation for hydroxy(oxo)phosphanium;2-phenylethanamine?
The canonical SMILES for hydroxy(oxo)phosphanium;2-phenylethanamine is NCCc1ccccc1.O=[PH+]O.
What is the InChIKey of hydroxy(oxo)phosphanium;2-phenylethanamine?
The InChIKey is ADZPXQKYSLUOHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11N.HO2P/c9-7-6-8-4-2-1-3-5-8;1-3-2/h1-5H,6-7,9H2;3H/p+1.
What are the key properties of hydroxy(oxo)phosphanium;2-phenylethanamine?
hydroxy(oxo)phosphanium;2-phenylethanamine has a molecular weight of 186.17 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(oxo)phosphanium;2-phenylethanamine is sourced from PubChem (CID 173363711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).