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

C14H16N2O3 — CID 61064891

IUPACN-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine
SMILESCNC(Cc1ccccc1C)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H16N2O3/c1-10-5-3-4-6-11(10)9-12(15-2)13-7-8-14(19-13)16(17)18/h3-8,12,15H,9H2,1-2H3
InChIKeyPRFGVPSUSQXYFX-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.00
Rot. Bonds5

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

N-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine (PubChem CID 61064891) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine
PubChem CID61064891
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine
SMILESCNC(Cc1ccccc1C)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H16N2O3/c1-10-5-3-4-6-11(10)9-12(15-2)13-7-8-14(19-13)16(17)18/h3-8,12,15H,9H2,1-2H3
InChIKeyPRFGVPSUSQXYFX-UHFFFAOYSA-N
XLogP3.00
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine
CID 61078228
N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine
CID 61066223
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 81481100
N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 43483960
1-(2-methylphenyl)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 43767868
2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115786752
N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
(2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine
CID 81430287
1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60664546
N-methyl-2-(2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 63417370
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 106687794

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine (CID 61064891) is N-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine is CNC(Cc1ccccc1C)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine?
The InChIKey is PRFGVPSUSQXYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-5-3-4-6-11(10)9-12(15-2)13-7-8-14(19-13)16(17)18/h3-8,12,15H,9H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine?
N-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine has a molecular weight of 260.29 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine is sourced from PubChem (CID 61064891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).