2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline

C15H15F2N — CID 43088434

IUPAC2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
SMILESCc1ccc(F)c(NC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C15H15F2N/c1-10-3-8-14(17)15(9-10)18-11(2)12-4-6-13(16)7-5-12/h3-9,11,18H,1-2H3
InChIKeyLMUYIFYUUXKKEJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.45
Rot. Bonds3

About 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline

2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline (PubChem CID 43088434) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
PubChem CID43088434
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
SMILESCc1ccc(F)c(NC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C15H15F2N/c1-10-3-8-14(17)15(9-10)18-11(2)12-4-6-13(16)7-5-12/h3-9,11,18H,1-2H3
InChIKeyLMUYIFYUUXKKEJ-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline
CID 43772756
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43114236
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058
N-[1-(4-tert-butylphenyl)ethyl]-2,5-difluoroaniline
CID 43106797
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 43381921
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline
CID 43717680
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-5-methylaniline
CID 43122776
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43226871
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoro-5-methylaniline
CID 43772760
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline
CID 43122780

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline?
The IUPAC name of 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline (CID 43088434) is 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline.
What is the SMILES notation for 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline?
The canonical SMILES for 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline is Cc1ccc(F)c(NC(C)c2ccc(F)cc2)c1.
What is the InChIKey of 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline?
The InChIKey is LMUYIFYUUXKKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10-3-8-14(17)15(9-10)18-11(2)12-4-6-13(16)7-5-12/h3-9,11,18H,1-2H3.
What are the key properties of 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline?
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline has a molecular weight of 247.29 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline is sourced from PubChem (CID 43088434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).