N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline

C16H20NO4P — CID 3558398

IUPACN-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(C(Nc2ccccc2)P(=O)(OC)OC)cc1
InChIInChI=1S/C16H20NO4P/c1-19-15-11-9-13(10-12-15)16(22(18,20-2)21-3)17-14-7-5-4-6-8-14/h4-12,16-17H,1-3H3
InChIKeyQLRXYBVYQWDRHH-UHFFFAOYSA-N
MW321.31 g/mol
LogP4.29
Rot. Bonds7

About N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline

N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline (PubChem CID 3558398) has the molecular formula C16H20NO4P and a molecular weight of 321.31 g/mol. Its IUPAC name is N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline
PubChem CID3558398
Molecular FormulaC16H20NO4P
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC NameN-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(C(Nc2ccccc2)P(=O)(OC)OC)cc1
InChIInChI=1S/C16H20NO4P/c1-19-15-11-9-13(10-12-15)16(22(18,20-2)21-3)17-14-7-5-4-6-8-14/h4-12,16-17H,1-3H3
InChIKeyQLRXYBVYQWDRHH-UHFFFAOYSA-N
XLogP4.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline 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

N-[dimethoxyphosphoryl(phenyl)methyl]-4-ethoxyaniline
CID 630631
N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline
CID 18859987
N-[dimethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)aniline
CID 11575500
N-[dipropoxyphosphoryl(phenyl)methyl]aniline
CID 23413513
4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol
CID 46939615
N-[(R)-dibutoxyphosphoryl(phenyl)methyl]aniline
CID 7370793
N-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-nitroaniline
CID 102356738
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
N-[(R)-dimethoxyphosphoryl-(2-nitrophenyl)methyl]aniline
CID 7369569
4-[anilino-di(propan-2-yloxy)phosphorylmethyl]-N,N-dimethylaniline
CID 3450279
N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine
CID 5003492
N-[(R)-dimethoxyphosphoryl-(4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 2067070

Frequently Asked Questions

What is the IUPAC name of N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline?
The IUPAC name of N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline (CID 3558398) is N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline is COc1ccc(C(Nc2ccccc2)P(=O)(OC)OC)cc1.
What is the InChIKey of N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline?
The InChIKey is QLRXYBVYQWDRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO4P/c1-19-15-11-9-13(10-12-15)16(22(18,20-2)21-3)17-14-7-5-4-6-8-14/h4-12,16-17H,1-3H3.
What are the key properties of N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline?
N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline has a molecular weight of 321.31 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 3558398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).