[2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid

C18H24NO3P — CID 71401644

IUPAC[2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid
SMILESCc1ccc(P(=O)(O)Oc2ccc(C)cc2CCN(C)C)cc1
InChIInChI=1S/C18H24NO3P/c1-14-5-8-17(9-6-14)23(20,21)22-18-10-7-15(2)13-16(18)11-12-19(3)4/h5-10,13H,11-12H2,1-4H3,(H,20,21)
InChIKeyOWEZUHOCEZOZQY-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.30
Rot. Bonds6

About [2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid

[2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid (PubChem CID 71401644) has the molecular formula C18H24NO3P and a molecular weight of 333.37 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid
PubChem CID71401644
Molecular FormulaC18H24NO3P
Molecular Weight333.37 g/mol
Exact Mass333.15
IUPAC Name[2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid
SMILESCc1ccc(P(=O)(O)Oc2ccc(C)cc2CCN(C)C)cc1
InChIInChI=1S/C18H24NO3P/c1-14-5-8-17(9-6-14)23(20,21)22-18-10-7-15(2)13-16(18)11-12-19(3)4/h5-10,13H,11-12H2,1-4H3,(H,20,21)
InChIKeyOWEZUHOCEZOZQY-UHFFFAOYSA-N
XLogP3.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic 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

(4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid
CID 87624270
N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine
CID 170866592
2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate
CID 22708503
3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide
CID 115139401
3-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]propane-1-thiol
CID 115225218
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine
CID 115226171
N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide
CID 115159073
[8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate
CID 178091436
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
2-(ethylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylacetamide
CID 115158094
2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042779
4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid?
The IUPAC name of [2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid (CID 71401644) is [2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid.
What is the SMILES notation for [2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid?
The canonical SMILES for [2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid is Cc1ccc(P(=O)(O)Oc2ccc(C)cc2CCN(C)C)cc1.
What is the InChIKey of [2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid?
The InChIKey is OWEZUHOCEZOZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO3P/c1-14-5-8-17(9-6-14)23(20,21)22-18-10-7-15(2)13-16(18)11-12-19(3)4/h5-10,13H,11-12H2,1-4H3,(H,20,21).
What are the key properties of [2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid?
[2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid has a molecular weight of 333.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid is sourced from PubChem (CID 71401644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).