N-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine

C22H25BrNP — CID 12550553

IUPACN-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25BrNP/c1-3-24(4-2)25(23,20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,3-4H2,1-2H3
InChIKeyBWCCVKULMSQZTP-UHFFFAOYSA-N
MW414.33 g/mol
LogP5.08
Rot. Bonds6

About N-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine

N-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine (PubChem CID 12550553) has the molecular formula C22H25BrNP and a molecular weight of 414.33 g/mol. Its IUPAC name is N-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine
PubChem CID12550553
Molecular FormulaC22H25BrNP
Molecular Weight414.33 g/mol
Exact Mass413.09
IUPAC NameN-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25BrNP/c1-3-24(4-2)25(23,20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,3-4H2,1-2H3
InChIKeyBWCCVKULMSQZTP-UHFFFAOYSA-N
XLogP5.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.33
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyltriphenyliphosphonium bromide
CID 74505
Butyltriphenylphosphonium bromide
CID 159628
Triphenylmethylphosphonium Bromide
CID 621706
Propyltriphenylphosphonium bromide
CID 80374
Phosphonium, hexyltriphenyl-, bromide (1:1)
CID 2724569
Phosphonium, ethyltriphenyl-, bromide (1:1)
CID 73727
Triphenylmethylphosphonium
CID 74506
sec-Butyltriphenylphosphonium bromide
CID 3083826
2-(diphenylphosphoryl)-N,N-diethylethanamine
CID 785453
Hydrazine, 1,1-bis(diphenylphosphino)-2,2-dimethyl-
CID 97350
3-(Diphenylphosphino)-N,N-dimethyl-1-propanamine
CID 120481
Isopropyltriphenylphosphonium bromide
CID 2795292

Frequently Asked Questions

What is the IUPAC name of N-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine (CID 12550553) is N-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine is CCN(CC)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine?
The InChIKey is BWCCVKULMSQZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrNP/c1-3-24(4-2)25(23,20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,3-4H2,1-2H3.
What are the key properties of N-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine?
N-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine has a molecular weight of 414.33 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 12550553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).