1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide

C17H19BrNOP — CID 169108614

IUPAC1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide
SMILESO=P1(c2ccc(Br)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H19BrNOP/c18-16-6-8-17(9-7-16)21(20)12-10-19(11-13-21)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyQRQLVVWUFHTJMK-UHFFFAOYSA-N
MW364.22 g/mol
LogP3.95
Rot. Bonds3

About 1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide

1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide (PubChem CID 169108614) has the molecular formula C17H19BrNOP and a molecular weight of 364.22 g/mol. Its IUPAC name is 1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide.

Molecular Properties

Compound Name1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide
PubChem CID169108614
Molecular FormulaC17H19BrNOP
Molecular Weight364.22 g/mol
Exact Mass363.04
IUPAC Name1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide
SMILESO=P1(c2ccc(Br)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H19BrNOP/c18-16-6-8-17(9-7-16)21(20)12-10-19(11-13-21)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyQRQLVVWUFHTJMK-UHFFFAOYSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide
CID 126640116
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide
CID 67432951
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide
CID 3058098
1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine
CID 174819017
1-benzyl-4-(4-bromophenyl)piperidin-4-amine
CID 72698436
1-(1-benzylpiperidin-4-yl)-4-[(4-bromophenyl)methyl]piperazine;oxalic acid
CID 17366692
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine
CID 5343052
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzylazepane
CID 10954328
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide?
The IUPAC name of 1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide (CID 169108614) is 1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide.
What is the SMILES notation for 1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide?
The canonical SMILES for 1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide is O=P1(c2ccc(Br)cc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide?
The InChIKey is QRQLVVWUFHTJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrNOP/c18-16-6-8-17(9-7-16)21(20)12-10-19(11-13-21)14-15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of 1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide?
1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide has a molecular weight of 364.22 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide is sourced from PubChem (CID 169108614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).