3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine

C42H46Br2N2P2 — CID 140662780

IUPAC3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine
SMILESNCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.NCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C21H23BrNP/c2*22-24(18-10-17-23,19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h2*1-9,11-16H,10,17-18,23H2
InChIKeyAEBIIJMGMSSNHA-UHFFFAOYSA-N
MW800.60 g/mol
LogP8.35
Rot. Bonds12

About 3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine

3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine (PubChem CID 140662780) has the molecular formula C42H46Br2N2P2 and a molecular weight of 800.60 g/mol. Its IUPAC name is 3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine.

Molecular Properties

Compound Name3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine
PubChem CID140662780
Molecular FormulaC42H46Br2N2P2
Molecular Weight800.60 g/mol
Exact Mass798.15
IUPAC Name3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine
SMILESNCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.NCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C21H23BrNP/c2*22-24(18-10-17-23,19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h2*1-9,11-16H,10,17-18,23H2
InChIKeyAEBIIJMGMSSNHA-UHFFFAOYSA-N
XLogP8.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.60
LogP ≤ 58.35
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

10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride
CID 171509465
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
20-[bromo(triphenyl)-λ5-phosphanyl]icosanoic acid
CID 174180824
bromo-triphenyl-(3-pyrrolidin-1-ylpropyl)-lambda5-phosphane
CID 14127221
methyl 4-[bromo(triphenyl)-lambda5-phosphanyl]butanoate
CID 14603913
bromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane
CID 140554988
6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid
CID 13457318
bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane
CID 13026386
methyl 6-[bromo(triphenyl)-λ5-phosphanyl]hex-2-enoate
CID 76714897
dibromo-butyl-diphenyl-λ5-phosphane
CID 134984074
bromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane
CID 155907097
bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane
CID 118283191

Frequently Asked Questions

What is the IUPAC name of 3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine?
The IUPAC name of 3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine (CID 140662780) is 3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine.
What is the SMILES notation for 3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine?
The canonical SMILES for 3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine is NCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.NCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine?
The InChIKey is AEBIIJMGMSSNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H23BrNP/c2*22-24(18-10-17-23,19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h2*1-9,11-16H,10,17-18,23H2.
What are the key properties of 3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine?
3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine has a molecular weight of 800.60 g/mol, XLogP of 8.35, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine is sourced from PubChem (CID 140662780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).