4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine

C11H13BrN2O4 — CID 50879637

IUPAC4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine
SMILESCOc1cc(Br)c(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13BrN2O4/c1-17-8-6-9(12)11(10(7-8)14(15)16)13-2-4-18-5-3-13/h6-7H,2-5H2,1H3
InChIKeyNBNVFVKDFRXCJI-UHFFFAOYSA-N
MW317.14 g/mol
LogP2.20
Rot. Bonds3

About 4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine

4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine (PubChem CID 50879637) has the molecular formula C11H13BrN2O4 and a molecular weight of 317.14 g/mol. Its IUPAC name is 4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine
PubChem CID50879637
Molecular FormulaC11H13BrN2O4
Molecular Weight317.14 g/mol
Exact Mass316.01
IUPAC Name4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine
SMILESCOc1cc(Br)c(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13BrN2O4/c1-17-8-6-9(12)11(10(7-8)14(15)16)13-2-4-18-5-3-13/h6-7H,2-5H2,1H3
InChIKeyNBNVFVKDFRXCJI-UHFFFAOYSA-N
XLogP2.20
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-bromo-6-nitro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 168512262
4-bromo-1-methoxy-2-nitrobenzene;4-(4-methoxy-3-nitrophenyl)morpholine
CID 162166043
4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine
CID 2871883
2-morpholin-4-yl-3-nitro-5-propan-2-ylaniline
CID 22752979
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
N-(3-bromo-4-morpholin-4-ylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 17220784
2-[(4-methoxyphenyl)methyl]-5-morpholin-4-yl-6-nitroisoindole-1,3-dione
CID 46374605
4-morpholin-4-yl-3,5-dinitrobenzohydrazide
CID 132593751
4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55571141
2-morpholin-4-yl-3,5-dinitrobenzoyl chloride
CID 132593438
methyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoate
CID 132593818
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine?
The IUPAC name of 4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine (CID 50879637) is 4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine.
What is the SMILES notation for 4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine?
The canonical SMILES for 4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine is COc1cc(Br)c(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine?
The InChIKey is NBNVFVKDFRXCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O4/c1-17-8-6-9(12)11(10(7-8)14(15)16)13-2-4-18-5-3-13/h6-7H,2-5H2,1H3.
What are the key properties of 4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine?
4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine has a molecular weight of 317.14 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methoxy-6-nitrophenyl)morpholine is sourced from PubChem (CID 50879637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).