3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine

C13H14N2O3 — CID 170878491

IUPAC3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine
SMILESNCCCc1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C13H14N2O3/c14-9-3-4-10-7-8-13(18-10)11-5-1-2-6-12(11)15(16)17/h1-2,5-8H,3-4,9,14H2
InChIKeyGUOZGQSHPNPHCF-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.75
Rot. Bonds5

About 3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine

3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine (PubChem CID 170878491) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine
PubChem CID170878491
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine
SMILESNCCCc1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C13H14N2O3/c14-9-3-4-10-7-8-13(18-10)11-5-1-2-6-12(11)15(16)17/h1-2,5-8H,3-4,9,14H2
InChIKeyGUOZGQSHPNPHCF-UHFFFAOYSA-N
XLogP2.75
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.75
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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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine (CID 170878491) is 3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine is NCCCc1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of 3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine?
The InChIKey is GUOZGQSHPNPHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c14-9-3-4-10-7-8-13(18-10)11-5-1-2-6-12(11)15(16)17/h1-2,5-8H,3-4,9,14H2.
What are the key properties of 3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine?
3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine has a molecular weight of 246.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine is sourced from PubChem (CID 170878491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).