2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline

C15H14F3NO2 — CID 43235541

IUPAC2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccccc2OC(F)F)cc1F
InChIInChI=1S/C15H14F3NO2/c1-20-13-7-6-10(8-11(13)16)9-19-12-4-2-3-5-14(12)21-15(17)18/h2-8,15,19H,9H2,1H3
InChIKeyCYUSHXXASILVGH-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.05
Rot. Bonds6

About 2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline

2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline (PubChem CID 43235541) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
PubChem CID43235541
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccccc2OC(F)F)cc1F
InChIInChI=1S/C15H14F3NO2/c1-20-13-7-6-10(8-11(13)16)9-19-12-4-2-3-5-14(12)21-15(17)18/h2-8,15,19H,9H2,1H3
InChIKeyCYUSHXXASILVGH-UHFFFAOYSA-N
XLogP4.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 81143549
4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol
CID 79881310
2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43090343
4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 28623945
N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 60788909
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-nitroaniline
CID 60750898
2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline
CID 115526003
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-4-methoxyaniline
CID 43380507
2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 63047244
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline
CID 78883027
N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 114452172
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline (CID 43235541) is 2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2ccccc2OC(F)F)cc1F.
What is the InChIKey of 2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline?
The InChIKey is CYUSHXXASILVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-20-13-7-6-10(8-11(13)16)9-19-12-4-2-3-5-14(12)21-15(17)18/h2-8,15,19H,9H2,1H3.
What are the key properties of 2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline?
2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline has a molecular weight of 297.28 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 43235541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).