(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine

C16H16BrClFN — CID 82964670

IUPAC(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
SMILESCC(N[C@H](C)c1cccc(Cl)c1)c1ccc(Br)cc1F
InChIInChI=1S/C16H16BrClFN/c1-10(12-4-3-5-14(18)8-12)20-11(2)15-7-6-13(17)9-16(15)19/h3-11,20H,1-2H3/t10-,11?/m1/s1
InChIKeyDFPROXHWDFVKGY-NFJWQWPMSA-N
MW356.67 g/mol
LogP5.65
Rot. Bonds4

About (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine

(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine (PubChem CID 82964670) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
PubChem CID82964670
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
SMILESCC(N[C@H](C)c1cccc(Cl)c1)c1ccc(Br)cc1F
InChIInChI=1S/C16H16BrClFN/c1-10(12-4-3-5-14(18)8-12)20-11(2)15-7-6-13(17)9-16(15)19/h3-11,20H,1-2H3/t10-,11?/m1/s1
InChIKeyDFPROXHWDFVKGY-NFJWQWPMSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-bromophenyl)ethanamine
CID 82963517
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82963187
(1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82773741
(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81365988
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 82963738
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
CID 82964592
(1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82964513
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 43767407
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 82964366
(1S)-1-(3-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81381049
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 82964918

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine?
The IUPAC name of (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine (CID 82964670) is (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine is CC(N[C@H](C)c1cccc(Cl)c1)c1ccc(Br)cc1F.
What is the InChIKey of (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine?
The InChIKey is DFPROXHWDFVKGY-NFJWQWPMSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-10(12-4-3-5-14(18)8-12)20-11(2)15-7-6-13(17)9-16(15)19/h3-11,20H,1-2H3/t10-,11?/m1/s1.
What are the key properties of (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine?
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine has a molecular weight of 356.67 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 82964670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).