N-diphenylphosphanyl-2,4,6-trimethylaniline

C21H22NP — CID 102203325

IUPACN-diphenylphosphanyl-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NP(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C21H22NP/c1-16-14-17(2)21(18(3)15-16)22-23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,22H,1-3H3
InChIKeyTYVWNECJZFGSGV-UHFFFAOYSA-N
MW319.39 g/mol
LogP5.07
Rot. Bonds4

About N-diphenylphosphanyl-2,4,6-trimethylaniline

N-diphenylphosphanyl-2,4,6-trimethylaniline (PubChem CID 102203325) has the molecular formula C21H22NP and a molecular weight of 319.39 g/mol. Its IUPAC name is N-diphenylphosphanyl-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-diphenylphosphanyl-2,4,6-trimethylaniline
PubChem CID102203325
Molecular FormulaC21H22NP
Molecular Weight319.39 g/mol
Exact Mass319.15
IUPAC NameN-diphenylphosphanyl-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NP(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C21H22NP/c1-16-14-17(2)21(18(3)15-16)22-23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,22H,1-3H3
InChIKeyTYVWNECJZFGSGV-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.39
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 8413
CID 8413
CID 13283
CID 13283
CID 41206
CID 41206
CID 83656
CID 83656
CID 6913
CID 6913
CID 90536
CID 90536
CID 33182
CID 33182
CID 88307
CID 88307
CID 80920
CID 80920
CID 77690
CID 77690
CID 88306
CID 88306
CID 159786
CID 159786

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphanyl-2,4,6-trimethylaniline?
The IUPAC name of N-diphenylphosphanyl-2,4,6-trimethylaniline (CID 102203325) is N-diphenylphosphanyl-2,4,6-trimethylaniline.
What is the SMILES notation for N-diphenylphosphanyl-2,4,6-trimethylaniline?
The canonical SMILES for N-diphenylphosphanyl-2,4,6-trimethylaniline is Cc1cc(C)c(NP(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of N-diphenylphosphanyl-2,4,6-trimethylaniline?
The InChIKey is TYVWNECJZFGSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22NP/c1-16-14-17(2)21(18(3)15-16)22-23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,22H,1-3H3.
What are the key properties of N-diphenylphosphanyl-2,4,6-trimethylaniline?
N-diphenylphosphanyl-2,4,6-trimethylaniline has a molecular weight of 319.39 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanyl-2,4,6-trimethylaniline is sourced from PubChem (CID 102203325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).