2-(2-chloro-6-methylphenoxy)ethanamine

C9H12ClNO — CID 17381699

IUPAC2-(2-chloro-6-methylphenoxy)ethanamine
SMILESCc1cccc(Cl)c1OCCN
InChIInChI=1S/C9H12ClNO/c1-7-3-2-4-8(10)9(7)12-6-5-11/h2-4H,5-6,11H2,1H3
InChIKeyXQTNIUIUXWUNOP-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.99
Rot. Bonds3

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

2-(2-chloro-6-methylphenoxy)ethanamine (PubChem CID 17381699) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-(2-chloro-6-methylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-methylphenoxy)ethanamine
PubChem CID17381699
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-(2-chloro-6-methylphenoxy)ethanamine
SMILESCc1cccc(Cl)c1OCCN
InChIInChI=1S/C9H12ClNO/c1-7-3-2-4-8(10)9(7)12-6-5-11/h2-4H,5-6,11H2,1H3
InChIKeyXQTNIUIUXWUNOP-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylphenoxy)ethanamine?
The IUPAC name of 2-(2-chloro-6-methylphenoxy)ethanamine (CID 17381699) is 2-(2-chloro-6-methylphenoxy)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-methylphenoxy)ethanamine?
The canonical SMILES for 2-(2-chloro-6-methylphenoxy)ethanamine is Cc1cccc(Cl)c1OCCN.
What is the InChIKey of 2-(2-chloro-6-methylphenoxy)ethanamine?
The InChIKey is XQTNIUIUXWUNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-7-3-2-4-8(10)9(7)12-6-5-11/h2-4H,5-6,11H2,1H3.
What are the key properties of 2-(2-chloro-6-methylphenoxy)ethanamine?
2-(2-chloro-6-methylphenoxy)ethanamine has a molecular weight of 185.65 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylphenoxy)ethanamine is sourced from PubChem (CID 17381699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).