(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine

C16H17BrFN — CID 81355146

IUPAC(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C16H17BrFN/c1-11(13-7-9-14(17)10-8-13)19-12(2)15-5-3-4-6-16(15)18/h3-12,19H,1-2H3/t11-,12?/m1/s1
InChIKeyQOCXBMICLZUUFF-JHJMLUEUSA-N
MW322.22 g/mol
LogP5.00
Rot. Bonds4

About (1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine

(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine (PubChem CID 81355146) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
PubChem CID81355146
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C16H17BrFN/c1-11(13-7-9-14(17)10-8-13)19-12(2)15-5-3-4-6-16(15)18/h3-12,19H,1-2H3/t11-,12?/m1/s1
InChIKeyQOCXBMICLZUUFF-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

1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 81380496
(1S)-1-(3-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81381049
1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81373795
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
1-(4-bromophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680812
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81380816
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 82963738
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347768
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine (CID 81355146) is (1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine is CC(N[C@H](C)c1ccc(Br)cc1)c1ccccc1F.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine?
The InChIKey is QOCXBMICLZUUFF-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11(13-7-9-14(17)10-8-13)19-12(2)15-5-3-4-6-16(15)18/h3-12,19H,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine?
(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]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)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 81355146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).