N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine

C14H16FNO2 — CID 4723530

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H16FNO2/c1-17-9-8-16-10-13-6-7-14(18-13)11-2-4-12(15)5-3-11/h2-7,16H,8-10H2,1H3
InChIKeyKABVAWJXJUUIFV-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.82
Rot. Bonds6

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine (PubChem CID 4723530) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine
PubChem CID4723530
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H16FNO2/c1-17-9-8-16-10-13-6-7-14(18-13)11-2-4-12(15)5-3-11/h2-7,16H,8-10H2,1H3
InChIKeyKABVAWJXJUUIFV-UHFFFAOYSA-N
XLogP2.82
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine (CID 4723530) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine is COCCNCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is KABVAWJXJUUIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-17-9-8-16-10-13-6-7-14(18-13)11-2-4-12(15)5-3-11/h2-7,16H,8-10H2,1H3.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 249.28 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 4723530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).