4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline

C23H26FNO3 — CID 56662842

IUPAC4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2ccc3cc(OCCOCCOCCF)ccc3c2)cc1
InChIInChI=1S/C23H26FNO3/c1-25-22-7-4-18(5-8-22)19-2-3-21-17-23(9-6-20(21)16-19)28-15-14-27-13-12-26-11-10-24/h2-9,16-17,25H,10-15H2,1H3
InChIKeyLRRZIFLXZXJKMT-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.93
Rot. Bonds11

About 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline

4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline (PubChem CID 56662842) has the molecular formula C23H26FNO3 and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline
PubChem CID56662842
Molecular FormulaC23H26FNO3
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2ccc3cc(OCCOCCOCCF)ccc3c2)cc1
InChIInChI=1S/C23H26FNO3/c1-25-22-7-4-18(5-8-22)19-2-3-21-17-23(9-6-20(21)16-19)28-15-14-27-13-12-26-11-10-24/h2-9,16-17,25H,10-15H2,1H3
InChIKeyLRRZIFLXZXJKMT-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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Related Compounds

Florbetaben (18F)
CID 11501341
Florbetaben unlabelled
CID 53257383
4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline
CID 16659421
N-[2-(3-(3-Methylaminophenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579115
N-[2-(3-(3-Dimethylaminophenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579163
4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline
CID 16659247
6-(4-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)phenyl)-N-methylnaphthalen-2-amine
CID 56673238
3-[4-({[4'-(2-Ethoxyethoxy)-2',6'-dimethylbiphenyl-3-yl]methyl}amino)-2-fluorophenyl]propanoic acid hydrochloride
CID 57413376
3-(3-Ethoxy-4-methoxyphenyl)-3-[4-(methylamino)phenyl]prop-2-enenitrile
CID 70683081
2-(2-(2-(4-((4-(Methylamino)phenyl)ethynyl)phenoxy)ethoxy)[18F]fluoroethoxy)ethyl-4-methylbenzenamine
CID 16659380
4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline
CID 11574930
6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23635612

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline?
The IUPAC name of 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline (CID 56662842) is 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline.
What is the SMILES notation for 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline?
The canonical SMILES for 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline is CNc1ccc(-c2ccc3cc(OCCOCCOCCF)ccc3c2)cc1.
What is the InChIKey of 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline?
The InChIKey is LRRZIFLXZXJKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO3/c1-25-22-7-4-18(5-8-22)19-2-3-21-17-23(9-6-20(21)16-19)28-15-14-27-13-12-26-11-10-24/h2-9,16-17,25H,10-15H2,1H3.
What are the key properties of 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline?
4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline 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 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]naphthalen-2-yl]-N-methylaniline is sourced from PubChem (CID 56662842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).