2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine

C10H14ClNO2 — CID 84681449

IUPAC2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine
SMILESCOc1c(Cl)cc(C)cc1OCCN
InChIInChI=1S/C10H14ClNO2/c1-7-5-8(11)10(13-2)9(6-7)14-4-3-12/h5-6H,3-4,12H2,1-2H3
InChIKeyJBRIHYGNBYTZRK-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.99
Rot. Bonds4

About 2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine

2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine (PubChem CID 84681449) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine
PubChem CID84681449
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine
SMILESCOc1c(Cl)cc(C)cc1OCCN
InChIInChI=1S/C10H14ClNO2/c1-7-5-8(11)10(13-2)9(6-7)14-4-3-12/h5-6H,3-4,12H2,1-2H3
InChIKeyJBRIHYGNBYTZRK-UHFFFAOYSA-N
XLogP1.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine?
The IUPAC name of 2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine (CID 84681449) is 2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine?
The canonical SMILES for 2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine is COc1c(Cl)cc(C)cc1OCCN.
What is the InChIKey of 2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine?
The InChIKey is JBRIHYGNBYTZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-7-5-8(11)10(13-2)9(6-7)14-4-3-12/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine?
2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine has a molecular weight of 215.68 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine is sourced from PubChem (CID 84681449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).