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

C8H9ClFN — CID 53394777

IUPAC1-(2-chloro-6-fluorophenyl)ethanamine
SMILESCC(N)c1c(F)cccc1Cl
InChIInChI=1S/C8H9ClFN/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3
InChIKeyWLQXZWHHERXWHA-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.50
Rot. Bonds1

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

1-(2-chloro-6-fluorophenyl)ethanamine (PubChem CID 53394777) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)ethanamine
PubChem CID53394777
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name1-(2-chloro-6-fluorophenyl)ethanamine
SMILESCC(N)c1c(F)cccc1Cl
InChIInChI=1S/C8H9ClFN/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3
InChIKeyWLQXZWHHERXWHA-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-6-fluorophenyl]ethanamine
CID 103288688
(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
CID 130968340
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine
CID 114275421
(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 28700571
2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine
CID 83925233
1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 82299762
1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093
(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
CID 130707834

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)ethanamine (CID 53394777) is 1-(2-chloro-6-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)ethanamine is CC(N)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)ethanamine?
The InChIKey is WLQXZWHHERXWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)ethanamine?
1-(2-chloro-6-fluorophenyl)ethanamine has a molecular weight of 173.62 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)ethanamine is sourced from PubChem (CID 53394777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).