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

C16H16F3N — CID 81347108

IUPAC(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C16H16F3N/c1-10(12-3-5-13(17)6-4-12)20-11(2)15-8-7-14(18)9-16(15)19/h3-11,20H,1-2H3/t10-,11?/m0/s1
InChIKeyCEDXBCRRCXQVDI-VUWPPUDQSA-N
MW279.31 g/mol
LogP4.52
Rot. Bonds4

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

(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81347108) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is (1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81347108
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C16H16F3N/c1-10(12-3-5-13(17)6-4-12)20-11(2)15-8-7-14(18)9-16(15)19/h3-11,20H,1-2H3/t10-,11?/m0/s1
InChIKeyCEDXBCRRCXQVDI-VUWPPUDQSA-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

1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
1-(4-bromophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680812
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 82963738
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766662
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine
CID 43779230
2-[1-[1-(2,4-difluorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107710599
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (CID 81347108) is (1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is CC(N[C@@H](C)c1ccc(F)cc1)c1ccc(F)cc1F.
What is the InChIKey of (1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is CEDXBCRRCXQVDI-VUWPPUDQSA-N. The full InChI is InChI=1S/C16H16F3N/c1-10(12-3-5-13(17)6-4-12)20-11(2)15-8-7-14(18)9-16(15)19/h3-11,20H,1-2H3/t10-,11?/m0/s1.
What are the key properties of (1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
(1S)-N-[1-(2,4-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 (1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81347108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).