4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline

C15H16FNO2 — CID 61026671

IUPAC4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline
SMILESCNc1ccc(OCCOc2ccccc2F)cc1
InChIInChI=1S/C15H16FNO2/c1-17-12-6-8-13(9-7-12)18-10-11-19-15-5-3-2-4-14(15)16/h2-9,17H,10-11H2,1H3
InChIKeyITLYRDRPDOYNMO-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.33
Rot. Bonds6

About 4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline

4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline (PubChem CID 61026671) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline.

Molecular Properties

Compound Name4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline
PubChem CID61026671
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline
SMILESCNc1ccc(OCCOc2ccccc2F)cc1
InChIInChI=1S/C15H16FNO2/c1-17-12-6-8-13(9-7-12)18-10-11-19-15-5-3-2-4-14(15)16/h2-9,17H,10-11H2,1H3
InChIKeyITLYRDRPDOYNMO-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
4-[2-(2-fluorophenoxy)ethoxy]benzenecarbothioamide
CID 43290949
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
CID 59416560
4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline
CID 55024304
1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene
CID 2283298
2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline
CID 39381707
1-fluoro-2-(2-iodoethoxy)benzene
CID 64787952
4-hexoxy-N-methylaniline
CID 54803445
2-(2-fluorophenoxy)ethylhydrazine
CID 82125131
N-[2-(2-tert-butylphenoxy)ethyl]-4-(2-phenoxyethoxy)aniline
CID 54799862
N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 28879092

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline?
The IUPAC name of 4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline (CID 61026671) is 4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline.
What is the SMILES notation for 4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline?
The canonical SMILES for 4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline is CNc1ccc(OCCOc2ccccc2F)cc1.
What is the InChIKey of 4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline?
The InChIKey is ITLYRDRPDOYNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-17-12-6-8-13(9-7-12)18-10-11-19-15-5-3-2-4-14(15)16/h2-9,17H,10-11H2,1H3.
What are the key properties of 4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline?
4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline has a molecular weight of 261.30 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline is sourced from PubChem (CID 61026671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).