2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol

C29H30NOP — CID 129187867

IUPAC2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol
SMILESCCc1cccc(Cc2ccc(P(c3ccccc3)c3ccccc3)cc2)c1NCCO
InChIInChI=1S/C29H30NOP/c1-2-24-10-9-11-25(29(24)30-20-21-31)22-23-16-18-28(19-17-23)32(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-19,30-31H,2,20-22H2,1H3
InChIKeyDDLOFVHOMLFZFG-UHFFFAOYSA-N
MW439.54 g/mol
LogP5.00
Rot. Bonds9

About 2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol

2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol (PubChem CID 129187867) has the molecular formula C29H30NOP and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol.

Molecular Properties

Compound Name2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol
PubChem CID129187867
Molecular FormulaC29H30NOP
Molecular Weight439.54 g/mol
Exact Mass439.21
IUPAC Name2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol
SMILESCCc1cccc(Cc2ccc(P(c3ccccc3)c3ccccc3)cc2)c1NCCO
InChIInChI=1S/C29H30NOP/c1-2-24-10-9-11-25(29(24)30-20-21-31)22-23-16-18-28(19-17-23)32(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-19,30-31H,2,20-22H2,1H3
InChIKeyDDLOFVHOMLFZFG-UHFFFAOYSA-N
XLogP5.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6-diethylanilino)butan-1-ol
CID 62327687
4-[(4-diphenylphosphanylphenyl)methyl]phenol
CID 141151441
2-ethyl-6-methyl-N-(3-phenylpropyl)aniline
CID 39356754
2-(4-benzylanilino)ethanol
CID 91561467
1-benzyl-3-(2,6-diethylphenyl)-1-(2-hydroxyethyl)thiourea
CID 5020523
2,6-diethyl-N-octylaniline
CID 63491055
2-(2,6-diethylanilino)-N-(2-phenylethyl)acetamide
CID 108999995
2-[2-(aminomethyl)-6-methylanilino]ethanol
CID 107105672
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
ethylbenzene;2-(methylamino)ethanol
CID 143437465
2-benzyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 7900260
N'-[2-(2,6-diethylanilino)ethyl]-N-(2,6-diethylphenyl)-N'-methylethane-1,2-diamine;iron(2+);dichloride
CID 18441093

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol?
The IUPAC name of 2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol (CID 129187867) is 2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol.
What is the SMILES notation for 2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol?
The canonical SMILES for 2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol is CCc1cccc(Cc2ccc(P(c3ccccc3)c3ccccc3)cc2)c1NCCO.
What is the InChIKey of 2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol?
The InChIKey is DDLOFVHOMLFZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30NOP/c1-2-24-10-9-11-25(29(24)30-20-21-31)22-23-16-18-28(19-17-23)32(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-19,30-31H,2,20-22H2,1H3.
What are the key properties of 2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol?
2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol has a molecular weight of 439.54 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol is sourced from PubChem (CID 129187867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).