2-(2-chlorophenoxy)ethanamine;hydrochloride

C8H11Cl2NO — CID 17174933

IUPAC2-(2-chlorophenoxy)ethanamine;hydrochloride
SMILESCl.NCCOc1ccccc1Cl
InChIInChI=1S/C8H10ClNO.ClH/c9-7-3-1-2-4-8(7)11-6-5-10;/h1-4H,5-6,10H2;1H
InChIKeyWHGGIYJUHBWONH-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.10
Rot. Bonds3

About 2-(2-chlorophenoxy)ethanamine;hydrochloride

2-(2-chlorophenoxy)ethanamine;hydrochloride (PubChem CID 17174933) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenoxy)ethanamine;hydrochloride
PubChem CID17174933
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name2-(2-chlorophenoxy)ethanamine;hydrochloride
SMILESCl.NCCOc1ccccc1Cl
InChIInChI=1S/C8H10ClNO.ClH/c9-7-3-1-2-4-8(7)11-6-5-10;/h1-4H,5-6,10H2;1H
InChIKeyWHGGIYJUHBWONH-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(2-chlorophenoxy)ethanamine;hydrochloride (CID 17174933) is 2-(2-chlorophenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-chlorophenoxy)ethanamine;hydrochloride is Cl.NCCOc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)ethanamine;hydrochloride?
The InChIKey is WHGGIYJUHBWONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.ClH/c9-7-3-1-2-4-8(7)11-6-5-10;/h1-4H,5-6,10H2;1H.
What are the key properties of 2-(2-chlorophenoxy)ethanamine;hydrochloride?
2-(2-chlorophenoxy)ethanamine;hydrochloride has a molecular weight of 208.09 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 17174933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).