N-benzyl-2-(furan-2-yl)ethanamine

C13H15NO — CID 43395329

IUPACN-benzyl-2-(furan-2-yl)ethanamine
SMILESc1ccc(CNCCc2ccco2)cc1
InChIInChI=1S/C13H15NO/c1-2-5-12(6-3-1)11-14-9-8-13-7-4-10-15-13/h1-7,10,14H,8-9,11H2
InChIKeyHIGQFSZEYCBXOF-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.61
Rot. Bonds5

About N-benzyl-2-(furan-2-yl)ethanamine

N-benzyl-2-(furan-2-yl)ethanamine (PubChem CID 43395329) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-benzyl-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(furan-2-yl)ethanamine
PubChem CID43395329
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-benzyl-2-(furan-2-yl)ethanamine
SMILESc1ccc(CNCCc2ccco2)cc1
InChIInChI=1S/C13H15NO/c1-2-5-12(6-3-1)11-14-9-8-13-7-4-10-15-13/h1-7,10,14H,8-9,11H2
InChIKeyHIGQFSZEYCBXOF-UHFFFAOYSA-N
XLogP2.61
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(furan-2-yl)ethanamine?
The IUPAC name of N-benzyl-2-(furan-2-yl)ethanamine (CID 43395329) is N-benzyl-2-(furan-2-yl)ethanamine.
What is the SMILES notation for N-benzyl-2-(furan-2-yl)ethanamine?
The canonical SMILES for N-benzyl-2-(furan-2-yl)ethanamine is c1ccc(CNCCc2ccco2)cc1.
What is the InChIKey of N-benzyl-2-(furan-2-yl)ethanamine?
The InChIKey is HIGQFSZEYCBXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-5-12(6-3-1)11-14-9-8-13-7-4-10-15-13/h1-7,10,14H,8-9,11H2.
What are the key properties of N-benzyl-2-(furan-2-yl)ethanamine?
N-benzyl-2-(furan-2-yl)ethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 43395329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).