2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline

C25H39NP2 — CID 87444995

IUPAC2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline
SMILESCCCP(CCC)c1ccccc1N(C)c1ccccc1P(CCC)CCC
InChIInChI=1S/C25H39NP2/c1-6-18-27(19-7-2)24-16-12-10-14-22(24)26(5)23-15-11-13-17-25(23)28(20-8-3)21-9-4/h10-17H,6-9,18-21H2,1-5H3
InChIKeyWZCHCRIENLWLMI-UHFFFAOYSA-N
MW415.54 g/mol
LogP7.31
Rot. Bonds12

About 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline

2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline (PubChem CID 87444995) has the molecular formula C25H39NP2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline.

Molecular Properties

Compound Name2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline
PubChem CID87444995
Molecular FormulaC25H39NP2
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline
SMILESCCCP(CCC)c1ccccc1N(C)c1ccccc1P(CCC)CCC
InChIInChI=1S/C25H39NP2/c1-6-18-27(19-7-2)24-16-12-10-14-22(24)26(5)23-15-11-13-17-25(23)28(20-8-3)21-9-4/h10-17H,6-9,18-21H2,1-5H3
InChIKeyWZCHCRIENLWLMI-UHFFFAOYSA-N
XLogP7.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline?
The IUPAC name of 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline (CID 87444995) is 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline.
What is the SMILES notation for 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline?
The canonical SMILES for 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline is CCCP(CCC)c1ccccc1N(C)c1ccccc1P(CCC)CCC.
What is the InChIKey of 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline?
The InChIKey is WZCHCRIENLWLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NP2/c1-6-18-27(19-7-2)24-16-12-10-14-22(24)26(5)23-15-11-13-17-25(23)28(20-8-3)21-9-4/h10-17H,6-9,18-21H2,1-5H3.
What are the key properties of 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline?
2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline has a molecular weight of 415.54 g/mol, XLogP of 7.31, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline is sourced from PubChem (CID 87444995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).