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

C17H22FNO — CID 65305032

IUPACN-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCc1ccc(F)c2ccccc12
InChIInChI=1S/C17H22FNO/c1-2-10-19-11-13-20-12-9-14-7-8-17(18)16-6-4-3-5-15(14)16/h3-8,19H,2,9-13H2,1H3
InChIKeyWECNHUURSJWWFY-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.54
Rot. Bonds8

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

N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-1-amine (PubChem CID 65305032) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-1-amine
PubChem CID65305032
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC NameN-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCc1ccc(F)c2ccccc12
InChIInChI=1S/C17H22FNO/c1-2-10-19-11-13-20-12-9-14-7-8-17(18)16-6-4-3-5-15(14)16/h3-8,19H,2,9-13H2,1H3
InChIKeyWECNHUURSJWWFY-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.54
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-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-1-amine (CID 65305032) is N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-1-amine is CCCNCCOCCc1ccc(F)c2ccccc12.
What is the InChIKey of N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-1-amine?
The InChIKey is WECNHUURSJWWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-2-10-19-11-13-20-12-9-14-7-8-17(18)16-6-4-3-5-15(14)16/h3-8,19H,2,9-13H2,1H3.
What are the key properties of N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-1-amine?
N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 65305032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).