2-(2,6-dichlorophenyl)ethanamine

C8H9Cl2N — CID 2734101

IUPAC2-(2,6-dichlorophenyl)ethanamine
SMILESNCCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H9Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2
InChIKeyACIMQXSSGMWVKG-UHFFFAOYSA-N
MW190.07 g/mol
LogP2.49
Rot. Bonds2

About 2-(2,6-dichlorophenyl)ethanamine

2-(2,6-dichlorophenyl)ethanamine (PubChem CID 2734101) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)ethanamine
PubChem CID2734101
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name2-(2,6-dichlorophenyl)ethanamine
SMILESNCCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H9Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2
InChIKeyACIMQXSSGMWVKG-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)ethanamine (CID 2734101) is 2-(2,6-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)ethanamine is NCCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)ethanamine?
The InChIKey is ACIMQXSSGMWVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2.
What are the key properties of 2-(2,6-dichlorophenyl)ethanamine?
2-(2,6-dichlorophenyl)ethanamine has a molecular weight of 190.07 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)ethanamine is sourced from PubChem (CID 2734101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).