2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline

C15H14F3NO — CID 61074846

IUPAC2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2cccc(F)c2F)c(F)c1
InChIInChI=1S/C15H14F3NO/c1-9(11-7-6-10(20-2)8-13(11)17)19-14-5-3-4-12(16)15(14)18/h3-9,19H,1-2H3
InChIKeyFBQJVCBPRWAELG-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.29
Rot. Bonds4

About 2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline

2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline (PubChem CID 61074846) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
PubChem CID61074846
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2cccc(F)c2F)c(F)c1
InChIInChI=1S/C15H14F3NO/c1-9(11-7-6-10(20-2)8-13(11)17)19-14-5-3-4-12(16)15(14)18/h3-9,19H,1-2H3
InChIKeyFBQJVCBPRWAELG-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol
CID 61076797
2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43764537
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-nitroaniline
CID 43785484
2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 61075545
2-chloro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-iodoaniline
CID 43788791
4-bromo-2,3-dichloro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 107787865
3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43765130
3-ethynyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43755503
2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43773626
3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide
CID 43767602
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline
CID 61076982
1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81354025

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline (CID 61074846) is 2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline is COc1ccc(C(C)Nc2cccc(F)c2F)c(F)c1.
What is the InChIKey of 2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
The InChIKey is FBQJVCBPRWAELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-9(11-7-6-10(20-2)8-13(11)17)19-14-5-3-4-12(16)15(14)18/h3-9,19H,1-2H3.
What are the key properties of 2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline has a molecular weight of 281.28 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 61074846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).