N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine

C25H31INP — CID 14323061

IUPACN,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine
SMILESCCN(CC)C(C)CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31INP/c1-4-27(5-2)22(3)21-28(26,23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22H,4-5,21H2,1-3H3
InChIKeyXWHXISUEEPCIEC-UHFFFAOYSA-N
MW503.41 g/mol
LogP5.60
Rot. Bonds8

About N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine

N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine (PubChem CID 14323061) has the molecular formula C25H31INP and a molecular weight of 503.41 g/mol. Its IUPAC name is N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine
PubChem CID14323061
Molecular FormulaC25H31INP
Molecular Weight503.41 g/mol
Exact Mass503.12
IUPAC NameN,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine
SMILESCCN(CC)C(C)CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31INP/c1-4-27(5-2)22(3)21-28(26,23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22H,4-5,21H2,1-3H3
InChIKeyXWHXISUEEPCIEC-UHFFFAOYSA-N
XLogP5.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.41
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-1-phenylpropan-2-amine
CID 521361
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
iodo-pentadecyl-triphenyl-lambda5-phosphane
CID 15341703
iodo-octadecyl-triphenyl-λ5-phosphane
CID 140528131
iodo-(1-iodoethyl)-triphenyl-λ5-phosphane
CID 134886738
N,N-diethyl-4-phenylbut-3-yn-2-amine
CID 3146070
N,N-diethyl-1-phenylethanamine;nitroxyl
CID 144554786
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
N,N-diethyl-1-phenylmethoxyethanamine
CID 22369442
N',N'-diethyl-N,N-dimethyl-1-phenylsilylmethanediamine
CID 173058993
N,N-diethyl-1,1-diphenyl-1-silylpropan-2-amine
CID 173065028

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine?
The IUPAC name of N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine (CID 14323061) is N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine.
What is the SMILES notation for N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine?
The canonical SMILES for N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine is CCN(CC)C(C)CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine?
The InChIKey is XWHXISUEEPCIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31INP/c1-4-27(5-2)22(3)21-28(26,23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22H,4-5,21H2,1-3H3.
What are the key properties of N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine?
N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine has a molecular weight of 503.41 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine is sourced from PubChem (CID 14323061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).