5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline

C14H12ClF2NO2 — CID 58022245

IUPAC5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline
SMILESCOc1ccc(F)c(Cl)c1COc1ccc(F)c(N)c1
InChIInChI=1S/C14H12ClF2NO2/c1-19-13-5-4-11(17)14(15)9(13)7-20-8-2-3-10(16)12(18)6-8/h2-6H,7,18H2,1H3
InChIKeyHRTTYNGTRWTNPA-UHFFFAOYSA-N
MW299.70 g/mol
LogP3.79
Rot. Bonds4

About 5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline

5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline (PubChem CID 58022245) has the molecular formula C14H12ClF2NO2 and a molecular weight of 299.70 g/mol. Its IUPAC name is 5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline.

Molecular Properties

Compound Name5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline
PubChem CID58022245
Molecular FormulaC14H12ClF2NO2
Molecular Weight299.70 g/mol
Exact Mass299.05
IUPAC Name5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline
SMILESCOc1ccc(F)c(Cl)c1COc1ccc(F)c(N)c1
InChIInChI=1S/C14H12ClF2NO2/c1-19-13-5-4-11(17)14(15)9(13)7-20-8-2-3-10(16)12(18)6-8/h2-6H,7,18H2,1H3
InChIKeyHRTTYNGTRWTNPA-UHFFFAOYSA-N
XLogP3.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.70
LogP ≤ 53.79
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-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline
CID 58021961
5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline
CID 58021946
4-[(4-chlorophenyl)methoxy]-2-methoxyaniline
CID 65126776
2-[(3-amino-4-fluorophenoxy)methyl]-3,4-difluorophenol
CID 59334372
5-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxyaniline
CID 83233823
4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol
CID 166065798
2-(2-chloro-3-fluoro-6-methoxyphenyl)acetonitrile
CID 130889587
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline
CID 103201230
2-[(3,4-difluorophenoxy)methyl]-3-fluoroaniline
CID 63331973
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
2-[(3-bromo-4-fluorophenoxy)methyl]-3-chloroaniline
CID 83233189
2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline
CID 59309657

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline?
The IUPAC name of 5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline (CID 58022245) is 5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline.
What is the SMILES notation for 5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline?
The canonical SMILES for 5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline is COc1ccc(F)c(Cl)c1COc1ccc(F)c(N)c1.
What is the InChIKey of 5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline?
The InChIKey is HRTTYNGTRWTNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO2/c1-19-13-5-4-11(17)14(15)9(13)7-20-8-2-3-10(16)12(18)6-8/h2-6H,7,18H2,1H3.
What are the key properties of 5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline?
5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline has a molecular weight of 299.70 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline is sourced from PubChem (CID 58022245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).