5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline

C14H14FNO2 — CID 19627149

IUPAC5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
SMILESCOc1ccc(COc2ccc(F)cc2N)cc1
InChIInChI=1S/C14H14FNO2/c1-17-12-5-2-10(3-6-12)9-18-14-7-4-11(15)8-13(14)16/h2-8H,9,16H2,1H3
InChIKeyQXCVXEXOYIMTSL-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.00
Rot. Bonds4

About 5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline

5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline (PubChem CID 19627149) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
PubChem CID19627149
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
SMILESCOc1ccc(COc2ccc(F)cc2N)cc1
InChIInChI=1S/C14H14FNO2/c1-17-12-5-2-10(3-6-12)9-18-14-7-4-11(15)8-13(14)16/h2-8H,9,16H2,1H3
InChIKeyQXCVXEXOYIMTSL-UHFFFAOYSA-N
XLogP3.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
CID 62368174
5-iodo-2-[(4-methoxyphenyl)methoxy]aniline
CID 66079969
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349
1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 107700785
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510
2-[(4-iodophenyl)methoxy]-5-methoxyaniline
CID 65498773
3-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801672
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
3-bromo-5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 43379351
5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 18794484
4-[(2-amino-4-methoxyphenoxy)methyl]benzamide
CID 24689715
4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline
CID 65431768

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline?
The IUPAC name of 5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline (CID 19627149) is 5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline.
What is the SMILES notation for 5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline?
The canonical SMILES for 5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline is COc1ccc(COc2ccc(F)cc2N)cc1.
What is the InChIKey of 5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline?
The InChIKey is QXCVXEXOYIMTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-17-12-5-2-10(3-6-12)9-18-14-7-4-11(15)8-13(14)16/h2-8H,9,16H2,1H3.
What are the key properties of 5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline?
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline has a molecular weight of 247.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline is sourced from PubChem (CID 19627149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).