1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine

C13H21Br2N2O2P — CID 142077695

IUPAC1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine
SMILESCON1PCNC1(C)C.COc1c(Br)cc(C)cc1Br
InChIInChI=1S/C8H8Br2O.C5H13N2OP/c1-5-3-6(9)8(11-2)7(10)4-5;1-5(2)6-4-9-7(5)8-3/h3-4H,1-2H3;6,9H,4H2,1-3H3
InChIKeyUDCOWZVKMUILLE-UHFFFAOYSA-N
MW428.11 g/mol
LogP4.27
Rot. Bonds2

About 1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine

1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine (PubChem CID 142077695) has the molecular formula C13H21Br2N2O2P and a molecular weight of 428.11 g/mol. Its IUPAC name is 1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine.

Molecular Properties

Compound Name1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine
PubChem CID142077695
Molecular FormulaC13H21Br2N2O2P
Molecular Weight428.11 g/mol
Exact Mass425.97
IUPAC Name1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine
SMILESCON1PCNC1(C)C.COc1c(Br)cc(C)cc1Br
InChIInChI=1S/C8H8Br2O.C5H13N2OP/c1-5-3-6(9)8(11-2)7(10)4-5;1-5(2)6-4-9-7(5)8-3/h3-4H,1-2H3;6,9H,4H2,1-3H3
InChIKeyUDCOWZVKMUILLE-UHFFFAOYSA-N
XLogP4.27
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.11
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-2-methoxy-5-methylphenyl)-pyrrolidin-1-ylmethanone
CID 50883166
deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol
CID 163588107
(3-bromo-2-methoxy-5-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 50882656
5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135442315
2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82630845
2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82623539
3-[(3-bromo-2-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 84812895
2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117480566
1-bromo-2-methoxy-5-methyl-3-nitrobenzene;ethane
CID 166130552
2,6-bis(3-bromo-2-methoxy-5-methylphenyl)pyrylium tetrafluoroborate
CID 134909696
2-(3-bromo-2-methoxy-5-methylphenyl)morpholine
CID 115004626
O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117403967

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine?
The IUPAC name of 1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine (CID 142077695) is 1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine.
What is the SMILES notation for 1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine?
The canonical SMILES for 1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine is CON1PCNC1(C)C.COc1c(Br)cc(C)cc1Br.
What is the InChIKey of 1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine?
The InChIKey is UDCOWZVKMUILLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O.C5H13N2OP/c1-5-3-6(9)8(11-2)7(10)4-5;1-5(2)6-4-9-7(5)8-3/h3-4H,1-2H3;6,9H,4H2,1-3H3.
What are the key properties of 1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine?
1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine has a molecular weight of 428.11 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine is sourced from PubChem (CID 142077695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).