(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine

C16H17BrFN — CID 81379784

IUPAC(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(N[C@H](C)c1ccccc1F)c1ccccc1Br
InChIInChI=1S/C16H17BrFN/c1-11(13-7-3-5-9-15(13)17)19-12(2)14-8-4-6-10-16(14)18/h3-12,19H,1-2H3/t11?,12-/m1/s1
InChIKeyWJWOUTKBKWGTCT-PIJUOVFKSA-N
MW322.22 g/mol
LogP5.00
Rot. Bonds4

About (1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine

(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 81379784) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is (1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
PubChem CID81379784
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(N[C@H](C)c1ccccc1F)c1ccccc1Br
InChIInChI=1S/C16H17BrFN/c1-11(13-7-3-5-9-15(13)17)19-12(2)14-8-4-6-10-16(14)18/h3-12,19H,1-2H3/t11?,12-/m1/s1
InChIKeyWJWOUTKBKWGTCT-PIJUOVFKSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 55.00
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
(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 81383317
4-[1-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715306
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347768
(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81355146
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
CID 43780236
2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 107598513
(1S)-1-(3-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81381049

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine (CID 81379784) is (1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine is CC(N[C@H](C)c1ccccc1F)c1ccccc1Br.
What is the InChIKey of (1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is WJWOUTKBKWGTCT-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11(13-7-3-5-9-15(13)17)19-12(2)14-8-4-6-10-16(14)18/h3-12,19H,1-2H3/t11?,12-/m1/s1.
What are the key properties of (1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine?
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 322.22 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 81379784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).