N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine

C16H20N2O3 — CID 43483960

IUPACN-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCNC(c1ccc([N+](=O)[O-])o1)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H20N2O3/c1-9-8-10(2)12(4)15(11(9)3)16(17-5)13-6-7-14(21-13)18(19)20/h6-8,16-17H,1-5H3
InChIKeyOTRKZSCEUDCWDL-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.73
Rot. Bonds4

About N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine

N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine (PubChem CID 43483960) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine
PubChem CID43483960
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCNC(c1ccc([N+](=O)[O-])o1)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H20N2O3/c1-9-8-10(2)12(4)15(11(9)3)16(17-5)13-6-7-14(21-13)18(19)20/h6-8,16-17H,1-5H3
InChIKeyOTRKZSCEUDCWDL-UHFFFAOYSA-N
XLogP3.73
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.73
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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43482480
(5-nitrofuran-2-yl)-(2,4,6-trimethylphenyl)methanol
CID 61087360
2-[chloro-(2,4,6-trimethylphenyl)methyl]-5-nitrofuran
CID 61085395
1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43487283
N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151597
N-methyl-2-(2-methylphenyl)-1-(5-nitrofuran-2-yl)ethanamine
CID 61064891
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43480257
(3,4-dimethylphenyl)-(5-nitrofuran-2-yl)methanamine
CID 43384480
2-[bromo-(4-methoxy-3-methylphenyl)methyl]-5-nitrofuran
CID 61095986
N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine
CID 43488090
2-[bromo-(2-chloro-4,5-dimethylphenyl)methyl]-5-nitrofuran
CID 115484840
2-(1-methoxyethyl)-5-nitrofuran
CID 145237926

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine?
The IUPAC name of N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine (CID 43483960) is N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine is CNC(c1ccc([N+](=O)[O-])o1)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine?
The InChIKey is OTRKZSCEUDCWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9-8-10(2)12(4)15(11(9)3)16(17-5)13-6-7-14(21-13)18(19)20/h6-8,16-17H,1-5H3.
What are the key properties of N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine?
N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine has a molecular weight of 288.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine is sourced from PubChem (CID 43483960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).