N-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline

C18H24NO2P — CID 134831024

IUPACN-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline
SMILESC=P(OCC)(OCC)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24NO2P/c1-4-20-22(3,21-5-2)18(16-12-8-6-9-13-16)19-17-14-10-7-11-15-17/h6-15,18-19H,3-5H2,1-2H3
InChIKeySQYQETJKJUHRHS-UHFFFAOYSA-N
MW317.37 g/mol
LogP5.15
Rot. Bonds8

About N-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline

N-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline (PubChem CID 134831024) has the molecular formula C18H24NO2P and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline.

Molecular Properties

Compound NameN-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline
PubChem CID134831024
Molecular FormulaC18H24NO2P
Molecular Weight317.37 g/mol
Exact Mass317.15
IUPAC NameN-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline
SMILESC=P(OCC)(OCC)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24NO2P/c1-4-20-22(3,21-5-2)18(16-12-8-6-9-13-16)19-17-14-10-7-11-15-17/h6-15,18-19H,3-5H2,1-2H3
InChIKeySQYQETJKJUHRHS-UHFFFAOYSA-N
XLogP5.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.37
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[ethoxy-(2,3,4,5,6-pentafluorophenyl)phosphoryl]-phenylmethyl]aniline
CID 5112991
N-[dipropoxyphosphoryl(phenyl)methyl]aniline
CID 23413513
N-[(S)-[3,3-dimethylbut-1-ynyl(ethoxy)phosphoryl]-phenylmethyl]aniline
CID 11862716
N-[diethoxyphosphinothioyl(phenyl)methyl]-4-ethylaniline
CID 4299558
N-[(R)-dibutoxyphosphoryl(phenyl)methyl]aniline
CID 7370793
4-[[[diethoxy(methylidene)-λ5-phosphanyl]-(4-methoxyphenyl)methyl]amino]benzonitrile
CID 134830807
N-[dipentoxyphosphoryl(phenyl)methyl]aniline
CID 100986575
N-[(S)-[methyl(2-methylpropoxy)phosphinothioyl]-phenylmethyl]aniline
CID 11862895
N-[[methyl(2-methylpropoxy)phosphoryl]-phenylmethyl]aniline
CID 3573903
ethoxy-[(S)-phenyl-(4-phenyldiazenylanilino)methyl]phosphinic acid
CID 139059162
N-[diethoxyphosphoryl(phenyl)methyl]-4-(trifluoromethoxy)aniline
CID 10250571
N-[diethoxyphosphoryl(phenyl)methyl]-2-methylsulfanylaniline
CID 102431976

Frequently Asked Questions

What is the IUPAC name of N-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline?
The IUPAC name of N-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline (CID 134831024) is N-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline.
What is the SMILES notation for N-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline?
The canonical SMILES for N-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline is C=P(OCC)(OCC)C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline?
The InChIKey is SQYQETJKJUHRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO2P/c1-4-20-22(3,21-5-2)18(16-12-8-6-9-13-16)19-17-14-10-7-11-15-17/h6-15,18-19H,3-5H2,1-2H3.
What are the key properties of N-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline?
N-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline has a molecular weight of 317.37 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[diethoxy(methylidene)-λ5-phosphanyl]-phenylmethyl]aniline is sourced from PubChem (CID 134831024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).