N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine

C16H16F3N — CID 43201964

IUPACN-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(NC(C)c1c(F)cccc1F)c1ccc(F)cc1
InChIInChI=1S/C16H16F3N/c1-10(12-6-8-13(17)9-7-12)20-11(2)16-14(18)4-3-5-15(16)19/h3-11,20H,1-2H3
InChIKeyCNXCETPIJIRJNQ-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.52
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine

N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 43201964) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
PubChem CID43201964
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(NC(C)c1c(F)cccc1F)c1ccc(F)cc1
InChIInChI=1S/C16H16F3N/c1-10(12-6-8-13(17)9-7-12)20-11(2)16-14(18)4-3-5-15(16)19/h3-11,20H,1-2H3
InChIKeyCNXCETPIJIRJNQ-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
(1R)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81350639
1-(4-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363847
(1R)-1-(4-fluorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81351118
(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81347759
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 102976441
(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350630

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (CID 43201964) is N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is CC(NC(C)c1c(F)cccc1F)c1ccc(F)cc1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is CNXCETPIJIRJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-10(12-6-8-13(17)9-7-12)20-11(2)16-14(18)4-3-5-15(16)19/h3-11,20H,1-2H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 279.31 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 43201964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).