4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline

C24H29N2O2P — CID 5220118

IUPAC4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline
SMILESCC(C)OP(=O)(c1ccc(N(C)C)cc1)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N2O2P/c1-19(2)28-29(27,23-17-15-22(16-18-23)26(3)4)24(20-11-7-5-8-12-20)25-21-13-9-6-10-14-21/h5-19,24-25H,1-4H3
InChIKeyQOAGYTJZVXSXHX-UHFFFAOYSA-N
MW408.48 g/mol
LogP5.89
Rot. Bonds8

About 4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline

4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline (PubChem CID 5220118) has the molecular formula C24H29N2O2P and a molecular weight of 408.48 g/mol. Its IUPAC name is 4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline
PubChem CID5220118
Molecular FormulaC24H29N2O2P
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline
SMILESCC(C)OP(=O)(c1ccc(N(C)C)cc1)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N2O2P/c1-19(2)28-29(27,23-17-15-22(16-18-23)26(3)4)24(20-11-7-5-8-12-20)25-21-13-9-6-10-14-21/h5-19,24-25H,1-4H3
InChIKeyQOAGYTJZVXSXHX-UHFFFAOYSA-N
XLogP5.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.48
LogP ≤ 55.89
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-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline
CID 385496
(Phenyl-phenylamino-methyl)-phosphonic acid dimethyl ester
CID 602688
Dibenzyl (alpha-anilinobenzyl)-phosphonate
CID 296388
Diisobutyl [anilino(phenyl)methyl]phosphonate
CID 2874655
N-[bis(2-methylpropoxy)phosphoryl-(4-fluorophenyl)methyl]aniline
CID 2910572
(4-Dimethylamino-phenyl)-[(4-dimethylamino-phenyl)-phenylamino-methyl]-phosphinic acid propyl ester
CID 3835082
Diethyl (4-fluorophenyl)(3-toluidino)methylphosphonate
CID 15945586
Phosphonic acid, phenyl(phenylamino)methyl-, diisopropyl ester
CID 614892
Diethyl ((4-fluorophenyl)((3-(trifluoromethyl)phenyl)amino)methyl)phosphonate
CID 3816803
Diisopropyl ((3-nitrophenyl)((4-nitrophenyl)amino)methyl)phosphonate
CID 3783677
1-[Diethoxyphosphoryl(phenyl)methyl]-3-phenylurea
CID 3355771
N-[diethoxyphosphoryl(phenyl)methyl]aniline
CID 602692

Frequently Asked Questions

What is the IUPAC name of 4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline?
The IUPAC name of 4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline (CID 5220118) is 4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline is CC(C)OP(=O)(c1ccc(N(C)C)cc1)C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of 4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline?
The InChIKey is QOAGYTJZVXSXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N2O2P/c1-19(2)28-29(27,23-17-15-22(16-18-23)26(3)4)24(20-11-7-5-8-12-20)25-21-13-9-6-10-14-21/h5-19,24-25H,1-4H3.
What are the key properties of 4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline?
4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline has a molecular weight of 408.48 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[anilino(phenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline is sourced from PubChem (CID 5220118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).