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

C20H21BrNP — CID 14234541

IUPACN-[bromo(triphenyl)-lambda5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21BrNP/c1-22(2)23(21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3
InChIKeySFPNUYUTUFLMBD-UHFFFAOYSA-N
MW386.27 g/mol
LogP4.30
Rot. Bonds4

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

N-[bromo(triphenyl)-lambda5-phosphanyl]-N-methylmethanamine (PubChem CID 14234541) has the molecular formula C20H21BrNP and a molecular weight of 386.27 g/mol. Its IUPAC name is N-[bromo(triphenyl)-lambda5-phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[bromo(triphenyl)-lambda5-phosphanyl]-N-methylmethanamine
PubChem CID14234541
Molecular FormulaC20H21BrNP
Molecular Weight386.27 g/mol
Exact Mass385.06
IUPAC NameN-[bromo(triphenyl)-lambda5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21BrNP/c1-22(2)23(21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3
InChIKeySFPNUYUTUFLMBD-UHFFFAOYSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 54.30
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

Triphenylphosphine
CID 11776
Methyltriphenyliphosphonium bromide
CID 74505
Allyltriphenylphosphonium bromide
CID 197740
Butyltriphenylphosphonium bromide
CID 159628
Tetraphenylphosphonium Bromide
CID 2724163
Triphenylmethylphosphonium Bromide
CID 621706
Ethyltriphenylphosphonium iodide
CID 78474
Propyltriphenylphosphonium bromide
CID 80374
Triphenylvinylphosphonium bromide
CID 2723893
Phosphonium, hexyltriphenyl-, bromide (1:1)
CID 2724569
(Triphenylphosphoranylidene)acetonitrile
CID 85524
Phosphonium, ethyltriphenyl-, bromide (1:1)
CID 73727

Frequently Asked Questions

What is the IUPAC name of N-[bromo(triphenyl)-lambda5-phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[bromo(triphenyl)-lambda5-phosphanyl]-N-methylmethanamine (CID 14234541) is N-[bromo(triphenyl)-lambda5-phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[bromo(triphenyl)-lambda5-phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[bromo(triphenyl)-lambda5-phosphanyl]-N-methylmethanamine is CN(C)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[bromo(triphenyl)-lambda5-phosphanyl]-N-methylmethanamine?
The InChIKey is SFPNUYUTUFLMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrNP/c1-22(2)23(21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3.
What are the key properties of N-[bromo(triphenyl)-lambda5-phosphanyl]-N-methylmethanamine?
N-[bromo(triphenyl)-lambda5-phosphanyl]-N-methylmethanamine has a molecular weight of 386.27 g/mol, XLogP of 4.30, 4 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-methylmethanamine is sourced from PubChem (CID 14234541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).