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

C8H9ClFN — CID 2734094

IUPAC2-(2-chloro-6-fluorophenyl)ethanamine
SMILESNCCc1c(F)cccc1Cl
InChIInChI=1S/C8H9ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2
InChIKeyNNEMMAAHBKHXLP-UHFFFAOYSA-N
MW173.62 g/mol
LogP1.98
Rot. Bonds2

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

2-(2-chloro-6-fluorophenyl)ethanamine (PubChem CID 2734094) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)ethanamine
PubChem CID2734094
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name2-(2-chloro-6-fluorophenyl)ethanamine
SMILESNCCc1c(F)cccc1Cl
InChIInChI=1S/C8H9ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2
InChIKeyNNEMMAAHBKHXLP-UHFFFAOYSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)ethanamine (CID 2734094) is 2-(2-chloro-6-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)ethanamine is NCCc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)ethanamine?
The InChIKey is NNEMMAAHBKHXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)ethanamine?
2-(2-chloro-6-fluorophenyl)ethanamine has a molecular weight of 173.62 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)ethanamine is sourced from PubChem (CID 2734094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).