N-[dipropoxyphosphoryl(phenyl)methyl]aniline

C19H26NO3P — CID 23413513

IUPACN-[dipropoxyphosphoryl(phenyl)methyl]aniline
SMILESCCCOP(=O)(OCCC)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H26NO3P/c1-3-15-22-24(21,23-16-4-2)19(17-11-7-5-8-12-17)20-18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3
InChIKeyFPBJQPVFPKJLGH-UHFFFAOYSA-N
MW347.40 g/mol
LogP5.84
Rot. Bonds10

About N-[dipropoxyphosphoryl(phenyl)methyl]aniline

N-[dipropoxyphosphoryl(phenyl)methyl]aniline (PubChem CID 23413513) has the molecular formula C19H26NO3P and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[dipropoxyphosphoryl(phenyl)methyl]aniline.

Molecular Properties

Compound NameN-[dipropoxyphosphoryl(phenyl)methyl]aniline
PubChem CID23413513
Molecular FormulaC19H26NO3P
Molecular Weight347.40 g/mol
Exact Mass347.17
IUPAC NameN-[dipropoxyphosphoryl(phenyl)methyl]aniline
SMILESCCCOP(=O)(OCCC)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H26NO3P/c1-3-15-22-24(21,23-16-4-2)19(17-11-7-5-8-12-17)20-18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3
InChIKeyFPBJQPVFPKJLGH-UHFFFAOYSA-N
XLogP5.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.40
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(R)-dibutoxyphosphoryl(phenyl)methyl]aniline
CID 7370793
N-[dipentoxyphosphoryl(phenyl)methyl]aniline
CID 100986575
N-[diethoxyphosphoryl(phenyl)methyl]-4-(trifluoromethoxy)aniline
CID 10250571
N-[dibutoxyphosphoryl-(3,4,5-trimethoxyphenyl)methyl]aniline
CID 4672682
N-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline
CID 134831024
N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide
CID 5162766
N-[diethoxyphosphoryl(phenyl)methyl]-2-methylsulfanylaniline
CID 102431976
N-[(R)-dipropoxyphosphoryl-(4-nitrophenyl)methyl]-4-propan-2-ylaniline
CID 40783189
N-[[methyl(2-methylpropoxy)phosphoryl]-phenylmethyl]aniline
CID 3573903
N-[[ethoxy-(2,3,4,5,6-pentafluorophenyl)phosphoryl]-phenylmethyl]aniline
CID 5112991
N-[dimethoxyphosphoryl(phenyl)methyl]-4-ethoxyaniline
CID 630631
2,4,5-trichloro-N-[diethoxyphosphoryl(phenyl)methyl]aniline
CID 132583108

Frequently Asked Questions

What is the IUPAC name of N-[dipropoxyphosphoryl(phenyl)methyl]aniline?
The IUPAC name of N-[dipropoxyphosphoryl(phenyl)methyl]aniline (CID 23413513) is N-[dipropoxyphosphoryl(phenyl)methyl]aniline.
What is the SMILES notation for N-[dipropoxyphosphoryl(phenyl)methyl]aniline?
The canonical SMILES for N-[dipropoxyphosphoryl(phenyl)methyl]aniline is CCCOP(=O)(OCCC)C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-[dipropoxyphosphoryl(phenyl)methyl]aniline?
The InChIKey is FPBJQPVFPKJLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO3P/c1-3-15-22-24(21,23-16-4-2)19(17-11-7-5-8-12-17)20-18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3.
What are the key properties of N-[dipropoxyphosphoryl(phenyl)methyl]aniline?
N-[dipropoxyphosphoryl(phenyl)methyl]aniline has a molecular weight of 347.40 g/mol, XLogP of 5.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dipropoxyphosphoryl(phenyl)methyl]aniline is sourced from PubChem (CID 23413513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).