(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine

C16H16BrF2N — CID 81383317

IUPAC(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccccc1Br)c1cc(F)ccc1F
InChIInChI=1S/C16H16BrF2N/c1-10(13-5-3-4-6-15(13)17)20-11(2)14-9-12(18)7-8-16(14)19/h3-11,20H,1-2H3/t10-,11?/m0/s1
InChIKeyDVFIBKAAIARTJI-VUWPPUDQSA-N
MW340.21 g/mol
LogP5.14
Rot. Bonds4

About (1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine

(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine (PubChem CID 81383317) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is (1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
PubChem CID81383317
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccccc1Br)c1cc(F)ccc1F
InChIInChI=1S/C16H16BrF2N/c1-10(13-5-3-4-6-15(13)17)20-11(2)14-9-12(18)7-8-16(14)19/h3-11,20H,1-2H3/t10-,11?/m0/s1
InChIKeyDVFIBKAAIARTJI-VUWPPUDQSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.21
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674233
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347768
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43673266
N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline
CID 43195353
4-[1-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715306
1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
CID 43780236
(2-bromophenyl)-(2,5-difluorophenyl)methanol
CID 61101637
2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
CID 43119409
N-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117357
N-[1-(2,5-difluorophenyl)ethyl]-1-pyridin-2-ylethanamine
CID 43202625

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine (CID 81383317) is (1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine is CC(N[C@@H](C)c1ccccc1Br)c1cc(F)ccc1F.
What is the InChIKey of (1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
The InChIKey is DVFIBKAAIARTJI-VUWPPUDQSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-10(13-5-3-4-6-15(13)17)20-11(2)14-9-12(18)7-8-16(14)19/h3-11,20H,1-2H3/t10-,11?/m0/s1.
What are the key properties of (1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine has a molecular weight of 340.21 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 81383317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).