4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline

C15H16FNO2 — CID 102878273

IUPAC4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline
SMILESCNc1ccc(OCc2ccc(OC)cc2F)cc1
InChIInChI=1S/C15H16FNO2/c1-17-12-4-7-13(8-5-12)19-10-11-3-6-14(18-2)9-15(11)16/h3-9,17H,10H2,1-2H3
InChIKeyOFMIWRUPQMALAJ-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.45
Rot. Bonds5

About 4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline

4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline (PubChem CID 102878273) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline.

Molecular Properties

Compound Name4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline
PubChem CID102878273
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline
SMILESCNc1ccc(OCc2ccc(OC)cc2F)cc1
InChIInChI=1S/C15H16FNO2/c1-17-12-4-7-13(8-5-12)19-10-11-3-6-14(18-2)9-15(11)16/h3-9,17H,10H2,1-2H3
InChIKeyOFMIWRUPQMALAJ-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene
CID 102876837
1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102876842
2-fluoro-6-[(2-fluoro-4-methoxyphenyl)methoxy]naphthalene
CID 139853874
1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876103
2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide
CID 102876786
4-[(3-methoxyphenyl)methoxy]-N-methylaniline
CID 39205064
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 107675360
3-[(2-fluoro-4-methoxyphenyl)methoxy]quinoline
CID 107388111
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline
CID 102619550
2-[(2-fluoro-4-methoxyphenyl)methoxy]phenol
CID 102877217
[3-fluoro-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877142

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline?
The IUPAC name of 4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline (CID 102878273) is 4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline.
What is the SMILES notation for 4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline?
The canonical SMILES for 4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline is CNc1ccc(OCc2ccc(OC)cc2F)cc1.
What is the InChIKey of 4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline?
The InChIKey is OFMIWRUPQMALAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-17-12-4-7-13(8-5-12)19-10-11-3-6-14(18-2)9-15(11)16/h3-9,17H,10H2,1-2H3.
What are the key properties of 4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline?
4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline has a molecular weight of 261.30 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline is sourced from PubChem (CID 102878273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).