4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline

C15H14BrF2NO — CID 43194545

IUPAC4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C15H14BrF2NO/c1-10(19-12-8-6-11(16)7-9-12)13-4-2-3-5-14(13)20-15(17)18/h2-10,15,19H,1H3
InChIKeyUWICLVBXQGLIQE-UHFFFAOYSA-N
MW342.18 g/mol
LogP5.22
Rot. Bonds5

About 4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline

4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline (PubChem CID 43194545) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
PubChem CID43194545
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C15H14BrF2NO/c1-10(19-12-8-6-11(16)7-9-12)13-4-2-3-5-14(13)20-15(17)18/h2-10,15,19H,1H3
InChIKeyUWICLVBXQGLIQE-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.18
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 35403599
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-iodo-4-methylaniline
CID 43716319
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine
CID 103932280
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine
CID 43539990
2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 65468369
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43192576
2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43096601
2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline
CID 43150484
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370
5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline
CID 43109609
2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline
CID 43733794
1-(1-chloroethyl)-2-(difluoromethoxy)benzene
CID 43114935

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline?
The IUPAC name of 4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline (CID 43194545) is 4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline.
What is the SMILES notation for 4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline?
The canonical SMILES for 4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline is CC(Nc1ccc(Br)cc1)c1ccccc1OC(F)F.
What is the InChIKey of 4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline?
The InChIKey is UWICLVBXQGLIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-10(19-12-8-6-11(16)7-9-12)13-4-2-3-5-14(13)20-15(17)18/h2-10,15,19H,1H3.
What are the key properties of 4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline?
4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline has a molecular weight of 342.18 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline is sourced from PubChem (CID 43194545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).