anilinomethyl(phenyl)phosphinic acid

C13H14NO2P — CID 134996335

IUPACanilinomethyl(phenyl)phosphinic acid
SMILESO=P(O)(CNc1ccccc1)c1ccccc1
InChIInChI=1S/C13H14NO2P/c15-17(16,13-9-5-2-6-10-13)11-14-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,15,16)
InChIKeyOASWBZXVRAKEID-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.65
Rot. Bonds4

About anilinomethyl(phenyl)phosphinic acid

anilinomethyl(phenyl)phosphinic acid (PubChem CID 134996335) has the molecular formula C13H14NO2P and a molecular weight of 247.23 g/mol. Its IUPAC name is anilinomethyl(phenyl)phosphinic acid.

Molecular Properties

Compound Nameanilinomethyl(phenyl)phosphinic acid
PubChem CID134996335
Molecular FormulaC13H14NO2P
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Nameanilinomethyl(phenyl)phosphinic acid
SMILESO=P(O)(CNc1ccccc1)c1ccccc1
InChIInChI=1S/C13H14NO2P/c15-17(16,13-9-5-2-6-10-13)11-14-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,15,16)
InChIKeyOASWBZXVRAKEID-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.65
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

N-[bis(dimethylamino)phosphorylmethyl]aniline
CID 4081083
3-anilinopropan-1-ol;phosphoric acid
CID 66984453
diphenylphosphinic acid chloride
CID 53401992
2-methylpropyl(phenyl)phosphinic acid
CID 793404
(2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid
CID 15939366
methyl(phenyl)phosphinic acid;zinc
CID 66618039
[3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid
CID 11773578
3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium
CID 175321703
CID 66766975
CID 66766975
phenylphosphonic acid;terbium
CID 175289814
N-(bromomethyl)aniline
CID 66636223
phenylphosphonic acid;phosphane
CID 157219344

Frequently Asked Questions

What is the IUPAC name of anilinomethyl(phenyl)phosphinic acid?
The IUPAC name of anilinomethyl(phenyl)phosphinic acid (CID 134996335) is anilinomethyl(phenyl)phosphinic acid.
What is the SMILES notation for anilinomethyl(phenyl)phosphinic acid?
The canonical SMILES for anilinomethyl(phenyl)phosphinic acid is O=P(O)(CNc1ccccc1)c1ccccc1.
What is the InChIKey of anilinomethyl(phenyl)phosphinic acid?
The InChIKey is OASWBZXVRAKEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14NO2P/c15-17(16,13-9-5-2-6-10-13)11-14-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,15,16).
What are the key properties of anilinomethyl(phenyl)phosphinic acid?
anilinomethyl(phenyl)phosphinic acid has a molecular weight of 247.23 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anilinomethyl(phenyl)phosphinic acid is sourced from PubChem (CID 134996335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).