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

C17H22FNO2 — CID 65305081

IUPACN-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methoxyethanamine
SMILESCOCCNCCOCCc1ccc(F)c2ccccc12
InChIInChI=1S/C17H22FNO2/c1-20-12-9-19-10-13-21-11-8-14-6-7-17(18)16-5-3-2-4-15(14)16/h2-7,19H,8-13H2,1H3
InChIKeyHWHAZBWVVVSKFZ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.77
Rot. Bonds9

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

N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methoxyethanamine (PubChem CID 65305081) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methoxyethanamine
PubChem CID65305081
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC NameN-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methoxyethanamine
SMILESCOCCNCCOCCc1ccc(F)c2ccccc12
InChIInChI=1S/C17H22FNO2/c1-20-12-9-19-10-13-21-11-8-14-6-7-17(18)16-5-3-2-4-15(14)16/h2-7,19H,8-13H2,1H3
InChIKeyHWHAZBWVVVSKFZ-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.77
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-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methoxyethanamine?
The IUPAC name of N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methoxyethanamine (CID 65305081) is N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methoxyethanamine?
The canonical SMILES for N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methoxyethanamine is COCCNCCOCCc1ccc(F)c2ccccc12.
What is the InChIKey of N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methoxyethanamine?
The InChIKey is HWHAZBWVVVSKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-20-12-9-19-10-13-21-11-8-14-6-7-17(18)16-5-3-2-4-15(14)16/h2-7,19H,8-13H2,1H3.
What are the key properties of N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methoxyethanamine?
N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methoxyethanamine has a molecular weight of 291.37 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methoxyethanamine is sourced from PubChem (CID 65305081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).