N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine

C15H16N2O4 — CID 63020239

IUPACN-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)COC2)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H16N2O4/c1-2-16-15(13-5-6-14(21-13)17(18)19)10-3-4-11-8-20-9-12(11)7-10/h3-7,15-16H,2,8-9H2,1H3
InChIKeySPXLMGLOWGCXNI-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.92
Rot. Bonds5

About N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine

N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine (PubChem CID 63020239) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine
PubChem CID63020239
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)COC2)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H16N2O4/c1-2-16-15(13-5-6-14(21-13)17(18)19)10-3-4-11-8-20-9-12(11)7-10/h3-7,15-16H,2,8-9H2,1H3
InChIKeySPXLMGLOWGCXNI-UHFFFAOYSA-N
XLogP2.92
TPSA77.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.92
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

N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylfuran-2-yl)methyl]ethanamine
CID 63731632
N-[1,3-dihydro-2-benzofuran-5-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79212876
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine
CID 63020064
N-[cyclopenten-1-yl-(5-nitrofuran-2-yl)methyl]ethanamine
CID 62080364
N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine
CID 43488090
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 63021107
N-[(3-chloro-4-iodophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 103220344
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43482480
N-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 63731219
N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine
CID 63019538
N-[(4,5-dibromothiophen-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 80534031
N-[(5-bromo-4-methylthiophen-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 79982109

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine (CID 63020239) is N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine is CCNC(c1ccc2c(c1)COC2)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine?
The InChIKey is SPXLMGLOWGCXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-16-15(13-5-6-14(21-13)17(18)19)10-3-4-11-8-20-9-12(11)7-10/h3-7,15-16H,2,8-9H2,1H3.
What are the key properties of N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine?
N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine has a molecular weight of 288.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 63020239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).