1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride

C8H10Cl2FN — CID 69246617

IUPAC1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride
SMILESCC(N)c1ccc(Cl)cc1F.Cl
InChIInChI=1S/C8H9ClFN.ClH/c1-5(11)7-3-2-6(9)4-8(7)10;/h2-5H,11H2,1H3;1H
InChIKeyDOKKUFKBMGQWFY-UHFFFAOYSA-N
MW210.08 g/mol
LogP2.92
Rot. Bonds1

About 1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride

1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride (PubChem CID 69246617) has the molecular formula C8H10Cl2FN and a molecular weight of 210.08 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride
PubChem CID69246617
Molecular FormulaC8H10Cl2FN
Molecular Weight210.08 g/mol
Exact Mass209.02
IUPAC Name1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride
SMILESCC(N)c1ccc(Cl)cc1F.Cl
InChIInChI=1S/C8H9ClFN.ClH/c1-5(11)7-3-2-6(9)4-8(7)10;/h2-5H,11H2,1H3;1H
InChIKeyDOKKUFKBMGQWFY-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.08
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride (CID 69246617) is 1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride is CC(N)c1ccc(Cl)cc1F.Cl.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride?
The InChIKey is DOKKUFKBMGQWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN.ClH/c1-5(11)7-3-2-6(9)4-8(7)10;/h2-5H,11H2,1H3;1H.
What are the key properties of 1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride?
1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride has a molecular weight of 210.08 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 69246617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).