2-(3-methylphenoxy)ethanamine

C9H13NO — CID 2560326

IUPAC2-(3-methylphenoxy)ethanamine
SMILESCc1cccc(OCCN)c1
InChIInChI=1S/C9H13NO/c1-8-3-2-4-9(7-8)11-6-5-10/h2-4,7H,5-6,10H2,1H3
InChIKeyIGGVZLIHUYNMNQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds3

About 2-(3-methylphenoxy)ethanamine

2-(3-methylphenoxy)ethanamine (PubChem CID 2560326) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(3-methylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(3-methylphenoxy)ethanamine
PubChem CID2560326
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-(3-methylphenoxy)ethanamine
SMILESCc1cccc(OCCN)c1
InChIInChI=1S/C9H13NO/c1-8-3-2-4-9(7-8)11-6-5-10/h2-4,7H,5-6,10H2,1H3
InChIKeyIGGVZLIHUYNMNQ-UHFFFAOYSA-N
XLogP1.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)ethanamine?
The IUPAC name of 2-(3-methylphenoxy)ethanamine (CID 2560326) is 2-(3-methylphenoxy)ethanamine.
What is the SMILES notation for 2-(3-methylphenoxy)ethanamine?
The canonical SMILES for 2-(3-methylphenoxy)ethanamine is Cc1cccc(OCCN)c1.
What is the InChIKey of 2-(3-methylphenoxy)ethanamine?
The InChIKey is IGGVZLIHUYNMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-8-3-2-4-9(7-8)11-6-5-10/h2-4,7H,5-6,10H2,1H3.
What are the key properties of 2-(3-methylphenoxy)ethanamine?
2-(3-methylphenoxy)ethanamine has a molecular weight of 151.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)ethanamine is sourced from PubChem (CID 2560326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).