2-[2-[(3-chlorophenyl)methylamino]ethoxy]ethanol

C11H16ClNO2 — CID 4712320

IUPAC2-[2-[(3-chlorophenyl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO2/c12-11-3-1-2-10(8-11)9-13-4-6-15-7-5-14/h1-3,8,13-14H,4-7,9H2
InChIKeyUOCQMOXGIICFLU-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.44
Rot. Bonds7

About 2-[2-[(3-chlorophenyl)methylamino]ethoxy]ethanol

2-[2-[(3-chlorophenyl)methylamino]ethoxy]ethanol (PubChem CID 4712320) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methylamino]ethoxy]ethanol
PubChem CID4712320
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-[2-[(3-chlorophenyl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO2/c12-11-3-1-2-10(8-11)9-13-4-6-15-7-5-14/h1-3,8,13-14H,4-7,9H2
InChIKeyUOCQMOXGIICFLU-UHFFFAOYSA-N
XLogP1.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(3-chlorophenyl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-chlorophenyl)methylamino]ethoxy]ethanol (CID 4712320) is 2-[2-[(3-chlorophenyl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methylamino]ethoxy]ethanol is OCCOCCNCc1cccc(Cl)c1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methylamino]ethoxy]ethanol?
The InChIKey is UOCQMOXGIICFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c12-11-3-1-2-10(8-11)9-13-4-6-15-7-5-14/h1-3,8,13-14H,4-7,9H2.
What are the key properties of 2-[2-[(3-chlorophenyl)methylamino]ethoxy]ethanol?
2-[2-[(3-chlorophenyl)methylamino]ethoxy]ethanol has a molecular weight of 229.71 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 4712320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).