1-(benzhydrylamino)ethylphosphonous acid

C15H18NO2P — CID 21325890

IUPAC1-(benzhydrylamino)ethylphosphonous acid
SMILESCC(NC(c1ccccc1)c1ccccc1)P(O)O
InChIInChI=1S/C15H18NO2P/c1-12(19(17)18)16-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-18H,1H3
InChIKeyJLGOUWGNTRNVRO-UHFFFAOYSA-N
MW275.29 g/mol
LogP3.01
Rot. Bonds5

About 1-(benzhydrylamino)ethylphosphonous acid

1-(benzhydrylamino)ethylphosphonous acid (PubChem CID 21325890) has the molecular formula C15H18NO2P and a molecular weight of 275.29 g/mol. Its IUPAC name is 1-(benzhydrylamino)ethylphosphonous acid.

Molecular Properties

Compound Name1-(benzhydrylamino)ethylphosphonous acid
PubChem CID21325890
Molecular FormulaC15H18NO2P
Molecular Weight275.29 g/mol
Exact Mass275.11
IUPAC Name1-(benzhydrylamino)ethylphosphonous acid
SMILESCC(NC(c1ccccc1)c1ccccc1)P(O)O
InChIInChI=1S/C15H18NO2P/c1-12(19(17)18)16-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-18H,1H3
InChIKeyJLGOUWGNTRNVRO-UHFFFAOYSA-N
XLogP3.01
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(benzhydrylamino)ethylphosphonous acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzhydrylamino)propan-1-ol
CID 43499566
[1-(benzhydrylamino)-2-methylbutyl]phosphonous acid
CID 21325851
1-(benzhydrylamino)-1-chloropropan-2-ol
CID 89396786
[(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid
CID 21325895
(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol
CID 114982552
(3R)-3-(benzhydrylamino)butanoic acid
CID 69229544
[(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid
CID 21325869
(2R)-2-(benzhydrylamino)-3-methylbutanamide
CID 54455149
[methylamino(phenyl)methyl]phosphonous acid
CID 177256216
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol
CID 144917101
3-(benzhydrylamino)-4-methylpentanoic acid
CID 69228030

Frequently Asked Questions

What is the IUPAC name of 1-(benzhydrylamino)ethylphosphonous acid?
The IUPAC name of 1-(benzhydrylamino)ethylphosphonous acid (CID 21325890) is 1-(benzhydrylamino)ethylphosphonous acid.
What is the SMILES notation for 1-(benzhydrylamino)ethylphosphonous acid?
The canonical SMILES for 1-(benzhydrylamino)ethylphosphonous acid is CC(NC(c1ccccc1)c1ccccc1)P(O)O.
What is the InChIKey of 1-(benzhydrylamino)ethylphosphonous acid?
The InChIKey is JLGOUWGNTRNVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO2P/c1-12(19(17)18)16-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-18H,1H3.
What are the key properties of 1-(benzhydrylamino)ethylphosphonous acid?
1-(benzhydrylamino)ethylphosphonous acid has a molecular weight of 275.29 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzhydrylamino)ethylphosphonous acid is sourced from PubChem (CID 21325890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).