2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine

C18H18FNO2 — CID 59053598

IUPAC2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCOc2ccc3ccccc3c2F)o1
InChIInChI=1S/C18H18FNO2/c1-13-6-8-15(22-13)12-20-10-11-21-17-9-7-14-4-2-3-5-16(14)18(17)19/h2-9,20H,10-12H2,1H3
InChIKeyMLVUBUYQJKMJTF-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.05
Rot. Bonds6

About 2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine

2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 59053598) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID59053598
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCOc2ccc3ccccc3c2F)o1
InChIInChI=1S/C18H18FNO2/c1-13-6-8-15(22-13)12-20-10-11-21-17-9-7-14-4-2-3-5-16(14)18(17)19/h2-9,20H,10-12H2,1H3
InChIKeyMLVUBUYQJKMJTF-UHFFFAOYSA-N
XLogP4.05
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.05
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 2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 59053598) is 2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine is Cc1ccc(CNCCOc2ccc3ccccc3c2F)o1.
What is the InChIKey of 2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is MLVUBUYQJKMJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-13-6-8-15(22-13)12-20-10-11-21-17-9-7-14-4-2-3-5-16(14)18(17)19/h2-9,20H,10-12H2,1H3.
What are the key properties of 2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?
2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 299.35 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 59053598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).