[5-(2-nitrophenyl)furan-2-yl]methanamine

C11H10N2O3 — CID 82114007

IUPAC[5-(2-nitrophenyl)furan-2-yl]methanamine
SMILESNCc1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C11H10N2O3/c12-7-8-5-6-11(16-8)9-3-1-2-4-10(9)13(14)15/h1-6H,7,12H2
InChIKeyOQMRAEMMOYZVNR-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.31
Rot. Bonds3

About [5-(2-nitrophenyl)furan-2-yl]methanamine

[5-(2-nitrophenyl)furan-2-yl]methanamine (PubChem CID 82114007) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is [5-(2-nitrophenyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-nitrophenyl)furan-2-yl]methanamine
PubChem CID82114007
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name[5-(2-nitrophenyl)furan-2-yl]methanamine
SMILESNCc1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C11H10N2O3/c12-7-8-5-6-11(16-8)9-3-1-2-4-10(9)13(14)15/h1-6H,7,12H2
InChIKeyOQMRAEMMOYZVNR-UHFFFAOYSA-N
XLogP2.31
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.31
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

3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine
CID 170878491
2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid
CID 170879545
N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine
CID 30980271
N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine
CID 782059
5-[[5-(2-nitrophenyl)furan-2-yl]methylamino]pentanenitrile
CID 119115331
1-[5-(2-nitrophenyl)furan-2-yl]ethanone
CID 2755858
2-[5-(aminomethyl)furan-2-yl]aniline;methanol
CID 153370257
5-methyl-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]pyridine-2,4-dione
CID 118944478
(3S)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-3-ol
CID 7443091
4,4-dimethyl-5-[[5-(2-nitrophenyl)furan-2-yl]methylamino]pentan-2-ol
CID 111468026
3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enal
CID 4771794
ethyl 1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidine-4-carboxylate
CID 2845409

Frequently Asked Questions

What is the IUPAC name of [5-(2-nitrophenyl)furan-2-yl]methanamine?
The IUPAC name of [5-(2-nitrophenyl)furan-2-yl]methanamine (CID 82114007) is [5-(2-nitrophenyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(2-nitrophenyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(2-nitrophenyl)furan-2-yl]methanamine is NCc1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of [5-(2-nitrophenyl)furan-2-yl]methanamine?
The InChIKey is OQMRAEMMOYZVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-7-8-5-6-11(16-8)9-3-1-2-4-10(9)13(14)15/h1-6H,7,12H2.
What are the key properties of [5-(2-nitrophenyl)furan-2-yl]methanamine?
[5-(2-nitrophenyl)furan-2-yl]methanamine has a molecular weight of 218.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-nitrophenyl)furan-2-yl]methanamine is sourced from PubChem (CID 82114007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).