2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine

C22H25BrNP — CID 12950984

IUPAC2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine
SMILESCN(C)CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25BrNP/c1-24(2)18-19-25(23,20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,18-19H2,1-2H3
InChIKeyPXPZMTYWEGGUHL-UHFFFAOYSA-N
MW414.33 g/mol
LogP4.39
Rot. Bonds6

About 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine

2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine (PubChem CID 12950984) has the molecular formula C22H25BrNP and a molecular weight of 414.33 g/mol. Its IUPAC name is 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine
PubChem CID12950984
Molecular FormulaC22H25BrNP
Molecular Weight414.33 g/mol
Exact Mass413.09
IUPAC Name2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine
SMILESCN(C)CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25BrNP/c1-24(2)18-19-25(23,20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,18-19H2,1-2H3
InChIKeyPXPZMTYWEGGUHL-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 54.39
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-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine (CID 12950984) is 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine is CN(C)CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine?
The InChIKey is PXPZMTYWEGGUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrNP/c1-24(2)18-19-25(23,20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,18-19H2,1-2H3.
What are the key properties of 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine?
2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine has a molecular weight of 414.33 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-dimethylethanamine is sourced from PubChem (CID 12950984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).