2-(3-chlorophenoxy)-N-methylethanamine

C9H12ClNO — CID 7131766

IUPAC2-(3-chlorophenoxy)-N-methylethanamine
SMILESCNCCOc1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7,11H,5-6H2,1H3
InChIKeyZLHBSKXCIBNODG-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.94
Rot. Bonds4

About 2-(3-chlorophenoxy)-N-methylethanamine

2-(3-chlorophenoxy)-N-methylethanamine (PubChem CID 7131766) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-methylethanamine
PubChem CID7131766
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-(3-chlorophenoxy)-N-methylethanamine
SMILESCNCCOc1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7,11H,5-6H2,1H3
InChIKeyZLHBSKXCIBNODG-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.94
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-(3-chlorophenoxy)-N-methylethanamine?
The IUPAC name of 2-(3-chlorophenoxy)-N-methylethanamine (CID 7131766) is 2-(3-chlorophenoxy)-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-methylethanamine?
The canonical SMILES for 2-(3-chlorophenoxy)-N-methylethanamine is CNCCOc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-methylethanamine?
The InChIKey is ZLHBSKXCIBNODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7,11H,5-6H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-N-methylethanamine?
2-(3-chlorophenoxy)-N-methylethanamine has a molecular weight of 185.65 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-methylethanamine is sourced from PubChem (CID 7131766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).