N-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine

C16H20FNO — CID 65304985

IUPACN-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine
SMILESCCNCCOCCc1ccc(F)c2ccccc12
InChIInChI=1S/C16H20FNO/c1-2-18-10-12-19-11-9-13-7-8-16(17)15-6-4-3-5-14(13)15/h3-8,18H,2,9-12H2,1H3
InChIKeyKDBGGFOIUPUNOK-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.15
Rot. Bonds7

About N-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine

N-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine (PubChem CID 65304985) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine
PubChem CID65304985
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine
SMILESCCNCCOCCc1ccc(F)c2ccccc12
InChIInChI=1S/C16H20FNO/c1-2-18-10-12-19-11-9-13-7-8-16(17)15-6-4-3-5-14(13)15/h3-8,18H,2,9-12H2,1H3
InChIKeyKDBGGFOIUPUNOK-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.15
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-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine?
The IUPAC name of N-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine (CID 65304985) is N-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine is CCNCCOCCc1ccc(F)c2ccccc12.
What is the InChIKey of N-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine?
The InChIKey is KDBGGFOIUPUNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-2-18-10-12-19-11-9-13-7-8-16(17)15-6-4-3-5-14(13)15/h3-8,18H,2,9-12H2,1H3.
What are the key properties of N-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine?
N-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 65304985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).