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

C16H16BrF2N — CID 82963738

IUPAC(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1ccc(F)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C16H16BrF2N/c1-10(12-3-6-14(18)7-4-12)20-11(2)15-8-5-13(17)9-16(15)19/h3-11,20H,1-2H3/t10-,11?/m0/s1
InChIKeyOIGPXQCARGQNLF-VUWPPUDQSA-N
MW340.21 g/mol
LogP5.14
Rot. Bonds4

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

(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 82963738) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
PubChem CID82963738
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1ccc(F)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C16H16BrF2N/c1-10(12-3-6-14(18)7-4-12)20-11(2)15-8-5-13(17)9-16(15)19/h3-11,20H,1-2H3/t10-,11?/m0/s1
InChIKeyOIGPXQCARGQNLF-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-(4-bromophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680812
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82963889
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82963187
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-bromophenyl)ethanamine
CID 82963517
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82964670
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766662
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81355146
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 82964366
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (CID 82963738) is (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is CC(N[C@@H](C)c1ccc(F)cc1)c1ccc(Br)cc1F.
What is the InChIKey of (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is OIGPXQCARGQNLF-VUWPPUDQSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-10(12-3-6-14(18)7-4-12)20-11(2)15-8-5-13(17)9-16(15)19/h3-11,20H,1-2H3/t10-,11?/m0/s1.
What are the key properties of (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)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)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 82963738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).