6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine

C23H26FNO3 — CID 56673238

IUPAC6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine
SMILESCNc1ccc2cc(-c3ccc(OCCOCCOCCF)cc3)ccc2c1
InChIInChI=1S/C23H26FNO3/c1-25-22-7-4-20-16-19(2-3-21(20)17-22)18-5-8-23(9-6-18)28-15-14-27-13-12-26-11-10-24/h2-9,16-17,25H,10-15H2,1H3
InChIKeyBFGIGTCXBKRRPE-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.93
Rot. Bonds11

About 6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine

6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine (PubChem CID 56673238) has the molecular formula C23H26FNO3 and a molecular weight of 383.46 g/mol. Its IUPAC name is 6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine.

Molecular Properties

Compound Name6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine
PubChem CID56673238
Molecular FormulaC23H26FNO3
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine
SMILESCNc1ccc2cc(-c3ccc(OCCOCCOCCF)cc3)ccc2c1
InChIInChI=1S/C23H26FNO3/c1-25-22-7-4-20-16-19(2-3-21(20)17-22)18-5-8-23(9-6-18)28-15-14-27-13-12-26-11-10-24/h2-9,16-17,25H,10-15H2,1H3
InChIKeyBFGIGTCXBKRRPE-UHFFFAOYSA-N
XLogP4.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine?
The IUPAC name of 6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine (CID 56673238) is 6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine.
What is the SMILES notation for 6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine?
The canonical SMILES for 6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine is CNc1ccc2cc(-c3ccc(OCCOCCOCCF)cc3)ccc2c1.
What is the InChIKey of 6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine?
The InChIKey is BFGIGTCXBKRRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO3/c1-25-22-7-4-20-16-19(2-3-21(20)17-22)18-5-8-23(9-6-18)28-15-14-27-13-12-26-11-10-24/h2-9,16-17,25H,10-15H2,1H3.
What are the key properties of 6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine?
6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine has a molecular weight of 383.46 g/mol, XLogP of 4.93, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylnaphthalen-2-amine is sourced from PubChem (CID 56673238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).