N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline

C24H28NOP — CID 15533809

IUPACN-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline
SMILESCCC(CP(=O)(c1ccccc1)c1ccccc1)N(C)c1ccc(C)cc1
InChIInChI=1S/C24H28NOP/c1-4-21(25(3)22-17-15-20(2)16-18-22)19-27(26,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,21H,4,19H2,1-3H3
InChIKeyBISJAIYFXANQFH-UHFFFAOYSA-N
MW377.47 g/mol
LogP5.22
Rot. Bonds7

About N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline

N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline (PubChem CID 15533809) has the molecular formula C24H28NOP and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline.

Molecular Properties

Compound NameN-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline
PubChem CID15533809
Molecular FormulaC24H28NOP
Molecular Weight377.47 g/mol
Exact Mass377.19
IUPAC NameN-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline
SMILESCCC(CP(=O)(c1ccccc1)c1ccccc1)N(C)c1ccc(C)cc1
InChIInChI=1S/C24H28NOP/c1-4-21(25(3)22-17-15-20(2)16-18-22)19-27(26,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,21H,4,19H2,1-3H3
InChIKeyBISJAIYFXANQFH-UHFFFAOYSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[1-(N,4-dimethylanilino)propyl]phenol
CID 82978560
4-[4-bis[4-(dimethylamino)phenyl]phosphorylbutyl-(4-methylphenyl)phosphoryl]-N,N-dimethylaniline
CID 10995607
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene
CID 100916039
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
4-diphenylphosphoryl-3-methylbutan-2-one
CID 13202522
(E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine
CID 10809475
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
3-(4-methyl-N-pentan-3-ylanilino)propanoic acid
CID 65059736
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689

Frequently Asked Questions

What is the IUPAC name of N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline?
The IUPAC name of N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline (CID 15533809) is N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline.
What is the SMILES notation for N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline?
The canonical SMILES for N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline is CCC(CP(=O)(c1ccccc1)c1ccccc1)N(C)c1ccc(C)cc1.
What is the InChIKey of N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline?
The InChIKey is BISJAIYFXANQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NOP/c1-4-21(25(3)22-17-15-20(2)16-18-22)19-27(26,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,21H,4,19H2,1-3H3.
What are the key properties of N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline?
N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline has a molecular weight of 377.47 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline is sourced from PubChem (CID 15533809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).