2-(3-Methoxyphenoxy)-N-methylethanamine

• CAS: 120998-52-9
• Catalog Number: ACM120998529
• Category: Ethers
• Molecular Weight: 181.23
• Molecular Formula: C₁₀H₁₅NO
• Synonyms: 2-(3-Methoxyphenoxy)-N-methylethanamine, 120998-52-9, Ambcb9071067, AGN-PC-01MW8R, SureCN6651953, CTK4B2133, MolPort-003-836-417, AKOS000343451, AG-D-45678
• IUPAC Name: 2-(3-methoxyphenoxy)-N-methylethanamine
• SMILES: CNCCOC1=CC=CC(=C1)OC
• InChI Key: LEEHBTUHIYEAQL-UHFFFAOYSA-N
• Boiling Point: 286ºC at 760 mmHg
• Flash Point: 113.5ºC
• Density: 1.01g/cm³
• Exact Mass: 181.11000
• Hazard Statements: H302 + H312 + H332-H315-H319-H335-H410
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H15NO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 181.23 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(3-methoxyphenoxy)-N-methylethanamine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H15NO2/c1-11-6-7-13-10-5-3-4-9(8-10)12-2/h3-5,8,11H,6-7H2,1-2H3.

What is the InChIKey of the compound?

The InChIKey of the compound is LEEHBTUHIYEAQL-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CNCCOC1=CC=CC(=C1)OC.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 1.8.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 30.5Ų.