1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine

C22H25BrNP — CID 168897600

IUPAC1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine
SMILESCCC(NC)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25BrNP/c1-3-22(24-2)25(23,19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18,22,24H,3H2,1-2H3
InChIKeyKTYSRKGULQTRBZ-UHFFFAOYSA-N
MW414.33 g/mol
LogP4.78
Rot. Bonds6

About 1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine

1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine (PubChem CID 168897600) has the molecular formula C22H25BrNP and a molecular weight of 414.33 g/mol. Its IUPAC name is 1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine
PubChem CID168897600
Molecular FormulaC22H25BrNP
Molecular Weight414.33 g/mol
Exact Mass413.09
IUPAC Name1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine
SMILESCCC(NC)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25BrNP/c1-3-22(24-2)25(23,19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18,22,24H,3H2,1-2H3
InChIKeyKTYSRKGULQTRBZ-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine (CID 168897600) is 1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine is CCC(NC)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine?
The InChIKey is KTYSRKGULQTRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrNP/c1-3-22(24-2)25(23,19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18,22,24H,3H2,1-2H3.
What are the key properties of 1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine?
1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine has a molecular weight of 414.33 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine is sourced from PubChem (CID 168897600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).