2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline

C13H14N2O4 — CID 43761092

IUPAC2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline
SMILESCOc1ccc(C)cc1NCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H14N2O4/c1-9-3-5-12(18-2)11(7-9)14-8-10-4-6-13(19-10)15(16)17/h3-7,14H,8H2,1-2H3
InChIKeyAMYHZFNBFNETJB-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.12
Rot. Bonds5

About 2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline

2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline (PubChem CID 43761092) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline
PubChem CID43761092
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline
SMILESCOc1ccc(C)cc1NCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H14N2O4/c1-9-3-5-12(18-2)11(7-9)14-8-10-4-6-13(19-10)15(16)17/h3-7,14H,8H2,1-2H3
InChIKeyAMYHZFNBFNETJB-UHFFFAOYSA-N
XLogP3.12
TPSA77.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-methoxy-3-[(5-nitrofuran-2-yl)methylamino]benzoic acid
CID 63744142
2-methoxy-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 12957246
2,4-dibromo-5-methoxy-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 103412105
N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide
CID 878122
2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
CID 114050796
N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline
CID 43443545
methyl 3-methyl-4-[(5-nitrofuran-2-yl)methylamino]benzoate
CID 43788035
N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
CID 43786255
5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103233707
N-[(5-ethylfuran-2-yl)methyl]-2-methoxy-4-nitroaniline
CID 62345097
2-methoxy-5-nitro-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 831553

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline?
The IUPAC name of 2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline (CID 43761092) is 2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline is COc1ccc(C)cc1NCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline?
The InChIKey is AMYHZFNBFNETJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-9-3-5-12(18-2)11(7-9)14-8-10-4-6-13(19-10)15(16)17/h3-7,14H,8H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline?
2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline has a molecular weight of 262.27 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline is sourced from PubChem (CID 43761092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).