1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine

C14H12BrClFN — CID 54594869

IUPAC1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1ccccc1Br
InChIInChI=1S/C14H12BrClFN/c15-11-5-2-1-4-9(11)14(18)8-10-12(16)6-3-7-13(10)17/h1-7,14H,8,18H2
InChIKeyRZLPPZWSLSEFHW-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.48
Rot. Bonds3

About 1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine

1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine (PubChem CID 54594869) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
PubChem CID54594869
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1ccccc1Br
InChIInChI=1S/C14H12BrClFN/c15-11-5-2-1-4-9(11)14(18)8-10-12(16)6-3-7-13(10)17/h1-7,14H,8,18H2
InChIKeyRZLPPZWSLSEFHW-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine (CID 54594869) is 1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine is NC(Cc1c(F)cccc1Cl)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The InChIKey is RZLPPZWSLSEFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c15-11-5-2-1-4-9(11)14(18)8-10-12(16)6-3-7-13(10)17/h1-7,14H,8,18H2.
What are the key properties of 1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine?
1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine has a molecular weight of 328.61 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine is sourced from PubChem (CID 54594869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).