4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline

C15H15F2N — CID 132579488

IUPAC4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc(C(F)F)cc2)cc1
InChIInChI=1S/C15H15F2N/c1-18(2)14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(16)17/h3-10,15H,1-2H3
InChIKeyAGDIVEARXWZFLT-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.36
Rot. Bonds3

About 4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline

4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline (PubChem CID 132579488) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline
PubChem CID132579488
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc(C(F)F)cc2)cc1
InChIInChI=1S/C15H15F2N/c1-18(2)14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(16)17/h3-10,15H,1-2H3
InChIKeyAGDIVEARXWZFLT-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
N,N-dimethyl-4-[4-[1-(methylamino)ethyl]phenyl]aniline
CID 54911733
(1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol
CID 11413331
4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane
CID 157316165
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
1-bromo-4-[4-(difluoromethyl)phenyl]benzene
CID 85090252
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
CID 101124306
4-(difluoromethyl)-N,N-diethylaniline
CID 154791327
4-[4-[1-(ethylamino)propyl]phenyl]-N,N-dimethylaniline
CID 61025300
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline (CID 132579488) is 4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline is CN(C)c1ccc(-c2ccc(C(F)F)cc2)cc1.
What is the InChIKey of 4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline?
The InChIKey is AGDIVEARXWZFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-18(2)14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(16)17/h3-10,15H,1-2H3.
What are the key properties of 4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline?
4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline has a molecular weight of 247.29 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline is sourced from PubChem (CID 132579488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).