N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine

C16H17BrFN — CID 81354443

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(N[C@H](C)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17BrFN/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h3-12,19H,1-2H3/t11-,12?/m1/s1
InChIKeyXJZLIABSPLWSEF-JHJMLUEUSA-N
MW322.22 g/mol
LogP5.00
Rot. Bonds4

About N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine

N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81354443) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81354443
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(N[C@H](C)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17BrFN/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h3-12,19H,1-2H3/t11-,12?/m1/s1
InChIKeyXJZLIABSPLWSEF-JHJMLUEUSA-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

(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 82963738
1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 43695926
1-(4-bromophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680812
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81355164
1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
CID 103779508
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81355146

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (CID 81354443) is N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is CC(N[C@H](C)c1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is XJZLIABSPLWSEF-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h3-12,19H,1-2H3/t11-,12?/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-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 N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81354443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).