[2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium

C20H19NO2P+ — CID 22462158

IUPAC[2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium
SMILESO=[P+](O)Cc1ccccc1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18NO2P/c22-24(23)15-18-13-7-8-14-19(18)21-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20-21H,15H2/p+1
InChIKeyBUPYBLZTIFTCTQ-UHFFFAOYSA-O
MW336.35 g/mol
LogP5.12
Rot. Bonds6

About [2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium

[2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium (PubChem CID 22462158) has the molecular formula C20H19NO2P+ and a molecular weight of 336.35 g/mol. Its IUPAC name is [2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium
PubChem CID22462158
Molecular FormulaC20H19NO2P+
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name[2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium
SMILESO=[P+](O)Cc1ccccc1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18NO2P/c22-24(23)15-18-13-7-8-14-19(18)21-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20-21H,15H2/p+1
InChIKeyBUPYBLZTIFTCTQ-UHFFFAOYSA-O
XLogP5.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.35
LogP ≤ 55.12
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

[5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium
CID 6331734
hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 90333087
2-(benzhydrylamino)-5-fluorobenzoic acid
CID 71762912
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
sodium hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 54606769
1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine
CID 129291272
2-[2-(aminomethyl)anilino]propanoic acid
CID 67615589
N-(dithiophen-2-ylmethyl)-2-ethylaniline
CID 43764558
2-[2-[2-(benzhydrylamino)-5-chlorophenyl]ethyl]isoindole-1,3-dione
CID 71121012
(2S)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554368
(2R)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554367
1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea
CID 63120342

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium?
The IUPAC name of [2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium (CID 22462158) is [2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium.
What is the SMILES notation for [2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium?
The canonical SMILES for [2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium is O=[P+](O)Cc1ccccc1NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium?
The InChIKey is BUPYBLZTIFTCTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18NO2P/c22-24(23)15-18-13-7-8-14-19(18)21-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20-21H,15H2/p+1.
What are the key properties of [2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium?
[2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium has a molecular weight of 336.35 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium is sourced from PubChem (CID 22462158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).