1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium

C15H17NO2P+ — CID 6369690

IUPAC1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium
SMILESCC(NC(c1ccccc1)c1ccccc1)[P+](=O)O
InChIInChI=1S/C15H16NO2P/c1-12(19(17)18)16-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-16H,1H3/p+1
InChIKeyXWFFSRRXKCWBOV-UHFFFAOYSA-O
MW274.28 g/mol
LogP3.45
Rot. Bonds5

About 1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium

1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium (PubChem CID 6369690) has the molecular formula C15H17NO2P+ and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium
PubChem CID6369690
Molecular FormulaC15H17NO2P+
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium
SMILESCC(NC(c1ccccc1)c1ccccc1)[P+](=O)O
InChIInChI=1S/C15H16NO2P/c1-12(19(17)18)16-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-16H,1H3/p+1
InChIKeyXWFFSRRXKCWBOV-UHFFFAOYSA-O
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.45
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

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alpha-methyl-N-(1-phenylethyl)-benzenethanamine
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N-(Diphenylmethyl)methylamine
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N-benzyl-1-phenylethylamine
CID 519427
Alpha-Benzyl-Aminobenzyl-Phosphonic Acid
CID 447336
[3-(4-Octyl-benzylamino)-propyl]-phosphonic acid
CID 10149985
{3-[(4''-Hexyl-biphenyl-4-ylmethyl)-amino]-propyl}-phosphonic acid
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1,2-Diphenylethyl-N-methylamine
CID 110986

Frequently Asked Questions

What is the IUPAC name of 1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium?
The IUPAC name of 1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium (CID 6369690) is 1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium.
What is the SMILES notation for 1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium?
The canonical SMILES for 1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium is CC(NC(c1ccccc1)c1ccccc1)[P+](=O)O.
What is the InChIKey of 1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium?
The InChIKey is XWFFSRRXKCWBOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16NO2P/c1-12(19(17)18)16-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-16H,1H3/p+1.
What are the key properties of 1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium?
1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium has a molecular weight of 274.28 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzhydrylamino)ethyl-hydroxy-oxophosphanium is sourced from PubChem (CID 6369690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).