2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine

C13H14FNO — CID 2055758

IUPAC2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine
SMILESFc1ccccc1CCNCc1ccco1
InChIInChI=1S/C13H14FNO/c14-13-6-2-1-4-11(13)7-8-15-10-12-5-3-9-16-12/h1-6,9,15H,7-8,10H2
InChIKeyCBOLYBVHLMKDFQ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.75
Rot. Bonds5

About 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine

2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 2055758) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine
PubChem CID2055758
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine
SMILESFc1ccccc1CCNCc1ccco1
InChIInChI=1S/C13H14FNO/c14-13-6-2-1-4-11(13)7-8-15-10-12-5-3-9-16-12/h1-6,9,15H,7-8,10H2
InChIKeyCBOLYBVHLMKDFQ-UHFFFAOYSA-N
XLogP2.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.75
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 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine (CID 2055758) is 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine is Fc1ccccc1CCNCc1ccco1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is CBOLYBVHLMKDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c14-13-6-2-1-4-11(13)7-8-15-10-12-5-3-9-16-12/h1-6,9,15H,7-8,10H2.
What are the key properties of 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine?
2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 2055758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).