2-diphenylphosphanylaniline;ethane

C20H22NP — CID 177151312

IUPAC2-diphenylphosphanylaniline;ethane
SMILESCC.Nc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NP.C2H6/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-2/h1-14H,19H2;1-2H3
InChIKeyBXVVFQMNIDLBHB-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.05
Rot. Bonds3

About 2-diphenylphosphanylaniline;ethane

2-diphenylphosphanylaniline;ethane (PubChem CID 177151312) has the molecular formula C20H22NP and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-diphenylphosphanylaniline;ethane.

Molecular Properties

Compound Name2-diphenylphosphanylaniline;ethane
PubChem CID177151312
Molecular FormulaC20H22NP
Molecular Weight307.38 g/mol
Exact Mass307.15
IUPAC Name2-diphenylphosphanylaniline;ethane
SMILESCC.Nc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NP.C2H6/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-2/h1-14H,19H2;1-2H3
InChIKeyBXVVFQMNIDLBHB-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline
CID 174847852
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
ethane;triphenylphosphane
CID 90942156
4-diphenylphosphanylbenzene-1,2,3-triamine;dihydrate
CID 166517174
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
lithium bis(2-diphenylphosphanylphenyl)azanide
CID 87445331
triphenylphosphane
CID 139056248
2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline
CID 15912093
dichloro-(2-diphenylphosphanylphenyl)phosphane
CID 5108470
(S)-amino-(2-diphenylphosphanylphenyl)methanol
CID 98228975
[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane
CID 158378188
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylaniline;ethane?
The IUPAC name of 2-diphenylphosphanylaniline;ethane (CID 177151312) is 2-diphenylphosphanylaniline;ethane.
What is the SMILES notation for 2-diphenylphosphanylaniline;ethane?
The canonical SMILES for 2-diphenylphosphanylaniline;ethane is CC.Nc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanylaniline;ethane?
The InChIKey is BXVVFQMNIDLBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NP.C2H6/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-2/h1-14H,19H2;1-2H3.
What are the key properties of 2-diphenylphosphanylaniline;ethane?
2-diphenylphosphanylaniline;ethane has a molecular weight of 307.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylaniline;ethane is sourced from PubChem (CID 177151312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).