N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine

C12H20NO3P — CID 10848734

IUPACN-diethoxyphosphoryl-1-(4-methylphenyl)methanamine
SMILESCCOP(=O)(NCc1ccc(C)cc1)OCC
InChIInChI=1S/C12H20NO3P/c1-4-15-17(14,16-5-2)13-10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,13,14)
InChIKeyHEZPDINMEPTIJT-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.27
Rot. Bonds7

About N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine

N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine (PubChem CID 10848734) has the molecular formula C12H20NO3P and a molecular weight of 257.27 g/mol. Its IUPAC name is N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-diethoxyphosphoryl-1-(4-methylphenyl)methanamine
PubChem CID10848734
Molecular FormulaC12H20NO3P
Molecular Weight257.27 g/mol
Exact Mass257.12
IUPAC NameN-diethoxyphosphoryl-1-(4-methylphenyl)methanamine
SMILESCCOP(=O)(NCc1ccc(C)cc1)OCC
InChIInChI=1S/C12H20NO3P/c1-4-15-17(14,16-5-2)13-10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,13,14)
InChIKeyHEZPDINMEPTIJT-UHFFFAOYSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine 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

1,1-bis(diethoxyphosphoryl)-N-[(4-methylphenyl)methyl]methanamine
CID 5325126
N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203
1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene
CID 15616106
1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 3503064
N-dimethoxyphosphoryl-1-phenylmethanamine
CID 10954934
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
diethoxyphosphoryl-(4-methylphenyl)azanium
CID 143511505
ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate
CID 5019647
ethane;N-methyl-1-(4-methylphenyl)methanamine;propane
CID 168988049
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
1-[ethoxy(propyl)phosphoryl]-4-methylbenzene
CID 23081786
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943

Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine?
The IUPAC name of N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine (CID 10848734) is N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine is CCOP(=O)(NCc1ccc(C)cc1)OCC.
What is the InChIKey of N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine?
The InChIKey is HEZPDINMEPTIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO3P/c1-4-15-17(14,16-5-2)13-10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,13,14).
What are the key properties of N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine?
N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine has a molecular weight of 257.27 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 10848734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).