3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline

C14H13F2NO2 — CID 117095722

IUPAC3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline
SMILESCOc1ccccc1COc1c(N)ccc(F)c1F
InChIInChI=1S/C14H13F2NO2/c1-18-12-5-3-2-4-9(12)8-19-14-11(17)7-6-10(15)13(14)16/h2-7H,8,17H2,1H3
InChIKeyRHLAOFJTATXTRG-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.13
Rot. Bonds4

About 3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline

3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline (PubChem CID 117095722) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline
PubChem CID117095722
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline
SMILESCOc1ccccc1COc1c(N)ccc(F)c1F
InChIInChI=1S/C14H13F2NO2/c1-18-12-5-3-2-4-9(12)8-19-14-11(17)7-6-10(15)13(14)16/h2-7H,8,17H2,1H3
InChIKeyRHLAOFJTATXTRG-UHFFFAOYSA-N
XLogP3.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.13
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

3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 63933644
3,4-difluoro-2-phenylmethoxyaniline
CID 62532181
2-ethoxy-3,4-difluoroaniline
CID 22118017
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline
CID 10358364
2-[(2-methoxyphenyl)methoxy]-1,3-dimethylbenzene
CID 70895147
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline
CID 58021961
2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline
CID 65126930
2-[(2-methoxyphenyl)methoxy]pyridin-3-amine
CID 117096182
2-[2-(6-amino-2,3-difluorophenoxy)phenyl]ethanol
CID 107711922
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene
CID 43659017

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline?
The IUPAC name of 3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline (CID 117095722) is 3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline.
What is the SMILES notation for 3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline?
The canonical SMILES for 3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline is COc1ccccc1COc1c(N)ccc(F)c1F.
What is the InChIKey of 3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline?
The InChIKey is RHLAOFJTATXTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-18-12-5-3-2-4-9(12)8-19-14-11(17)7-6-10(15)13(14)16/h2-7H,8,17H2,1H3.
What are the key properties of 3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline?
3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline has a molecular weight of 265.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline is sourced from PubChem (CID 117095722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).