4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine

C21H26BrN2O3P — CID 29020981

IUPAC4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine
SMILESO=[P@@](c1ccccc1)([C@@H](c1ccc(Br)cc1)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C21H26BrN2O3P/c22-19-8-6-18(7-9-19)21(23-10-14-26-15-11-23)28(25,20-4-2-1-3-5-20)24-12-16-27-17-13-24/h1-9,21H,10-17H2/t21-,28-/m0/s1
InChIKeyATNHWZAFZVQLQZ-KMRXNPHXSA-N
MW465.33 g/mol
LogP3.72
Rot. Bonds5

About 4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine

4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine (PubChem CID 29020981) has the molecular formula C21H26BrN2O3P and a molecular weight of 465.33 g/mol. Its IUPAC name is 4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine.

Molecular Properties

Compound Name4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine
PubChem CID29020981
Molecular FormulaC21H26BrN2O3P
Molecular Weight465.33 g/mol
Exact Mass464.09
IUPAC Name4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine
SMILESO=[P@@](c1ccccc1)([C@@H](c1ccc(Br)cc1)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C21H26BrN2O3P/c22-19-8-6-18(7-9-19)21(23-10-14-26-15-11-23)28(25,20-4-2-1-3-5-20)24-12-16-27-17-13-24/h1-9,21H,10-17H2/t21-,28-/m0/s1
InChIKeyATNHWZAFZVQLQZ-KMRXNPHXSA-N
XLogP3.72
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine
CID 1263885
2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
CID 130439169
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
CID 703306
morpholin-4-yl-diphenyl-sulfanylidene-lambda5-phosphane
CID 10638162
4-(1-diphenylphosphorylbutyl)morpholine
CID 86180321
1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine
CID 91515805
(3R,4S)-4-(4-bromophenyl)-3,4-dimorpholin-4-ylbutan-2-one
CID 92573477
4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine
CID 101471387
2-(4-bromophenyl)-3-morpholin-4-ylpropanoic acid
CID 82095248
4-[(2-methylpropan-2-yl)oxy-phenylphosphoryl]morpholine
CID 101075914
1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 139082928

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine?
The IUPAC name of 4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine (CID 29020981) is 4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine.
What is the SMILES notation for 4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine?
The canonical SMILES for 4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine is O=[P@@](c1ccccc1)([C@@H](c1ccc(Br)cc1)N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine?
The InChIKey is ATNHWZAFZVQLQZ-KMRXNPHXSA-N. The full InChI is InChI=1S/C21H26BrN2O3P/c22-19-8-6-18(7-9-19)21(23-10-14-26-15-11-23)28(25,20-4-2-1-3-5-20)24-12-16-27-17-13-24/h1-9,21H,10-17H2/t21-,28-/m0/s1.
What are the key properties of 4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine?
4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine has a molecular weight of 465.33 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine is sourced from PubChem (CID 29020981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).