2-(2,5-dichlorophenoxy)-N-methylethanamine

C9H11Cl2NO — CID 16614092

IUPAC2-(2,5-dichlorophenoxy)-N-methylethanamine
SMILESCNCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2NO/c1-12-4-5-13-9-6-7(10)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyCKCUIBZUJZHUJT-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.59
Rot. Bonds4

About 2-(2,5-dichlorophenoxy)-N-methylethanamine

2-(2,5-dichlorophenoxy)-N-methylethanamine (PubChem CID 16614092) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-methylethanamine
PubChem CID16614092
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name2-(2,5-dichlorophenoxy)-N-methylethanamine
SMILESCNCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2NO/c1-12-4-5-13-9-6-7(10)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyCKCUIBZUJZHUJT-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-methylethanamine?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-methylethanamine (CID 16614092) is 2-(2,5-dichlorophenoxy)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-methylethanamine is CNCCOc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-methylethanamine?
The InChIKey is CKCUIBZUJZHUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-12-4-5-13-9-6-7(10)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 2-(2,5-dichlorophenoxy)-N-methylethanamine?
2-(2,5-dichlorophenoxy)-N-methylethanamine has a molecular weight of 220.10 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-methylethanamine is sourced from PubChem (CID 16614092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).