N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine

C13H13N3O5 — CID 61078228

IUPACN-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H13N3O5/c1-14-10(12-6-7-13(21-12)16(19)20)8-9-4-2-3-5-11(9)15(17)18/h2-7,10,14H,8H2,1H3
InChIKeyUNYCWLDXSLQMMO-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.60
Rot. Bonds6

About N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine

N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine (PubChem CID 61078228) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine
PubChem CID61078228
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC NameN-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H13N3O5/c1-14-10(12-6-7-13(21-12)16(19)20)8-9-4-2-3-5-11(9)15(17)18/h2-7,10,14H,8H2,1H3
InChIKeyUNYCWLDXSLQMMO-UHFFFAOYSA-N
XLogP2.60
TPSA111.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine
CID 61064891
N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine
CID 61066223
1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 12909659
1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61078222
N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine
CID 61078233
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 106687794
N-methyl-1-(4-methylsulfanylphenyl)-2-(2-nitrophenyl)ethanamine
CID 79213455
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 81481100
1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61080227
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61080048

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine?
The IUPAC name of N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine (CID 61078228) is N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine is CNC(Cc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine?
The InChIKey is UNYCWLDXSLQMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-14-10(12-6-7-13(21-12)16(19)20)8-9-4-2-3-5-11(9)15(17)18/h2-7,10,14H,8H2,1H3.
What are the key properties of N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine?
N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine has a molecular weight of 291.26 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 61078228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).