1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine

C14H14N2O4 — CID 43482480

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
SMILESCNC(c1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H14N2O4/c1-15-14(12-4-5-13(20-12)16(17)18)10-2-3-11-9(8-10)6-7-19-11/h2-5,8,14-15H,6-7H2,1H3
InChIKeyYXKGGHDPMVAHIK-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.43
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine (PubChem CID 43482480) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
PubChem CID43482480
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
SMILESCNC(c1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H14N2O4/c1-15-14(12-4-5-13(20-12)16(17)18)10-2-3-11-9(8-10)6-7-19-11/h2-5,8,14-15H,6-7H2,1H3
InChIKeyYXKGGHDPMVAHIK-UHFFFAOYSA-N
XLogP2.43
TPSA77.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.43
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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
1-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482503
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854608
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine
CID 104995435
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114990712
N-[2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489820
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 104542536
1-(2,5-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62200884
N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine
CID 63020239
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985787

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine (CID 43482480) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine is CNC(c1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine?
The InChIKey is YXKGGHDPMVAHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-15-14(12-4-5-13(20-12)16(17)18)10-2-3-11-9(8-10)6-7-19-11/h2-5,8,14-15H,6-7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine has a molecular weight of 274.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine is sourced from PubChem (CID 43482480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).