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

C16H17BrFN — CID 81347768

IUPAC(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C16H17BrFN/c1-11(13-7-9-14(18)10-8-13)19-12(2)15-5-3-4-6-16(15)17/h3-12,19H,1-2H3/t11-,12?/m0/s1
InChIKeyOYJCZZGQVORAEA-PXYINDEMSA-N
MW322.22 g/mol
LogP5.00
Rot. Bonds4

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

(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81347768) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81347768
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C16H17BrFN/c1-11(13-7-9-14(18)10-8-13)19-12(2)15-5-3-4-6-16(15)17/h3-12,19H,1-2H3/t11-,12?/m0/s1
InChIKeyOYJCZZGQVORAEA-PXYINDEMSA-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

N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43680068
2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
CID 81347161
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674233
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371563
(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 81383317
N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43680054
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350627
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
N-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117357
(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81355146

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (CID 81347768) is (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is CC(N[C@@H](C)c1ccc(F)cc1)c1ccccc1Br.
What is the InChIKey of (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is OYJCZZGQVORAEA-PXYINDEMSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11(13-7-9-14(18)10-8-13)19-12(2)15-5-3-4-6-16(15)17/h3-12,19H,1-2H3/t11-,12?/m0/s1.
What are the key properties of (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
(1S)-N-[1-(2-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 (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81347768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).