2-[(2,4-dimethoxyphenyl)methylamino]ethanol

C11H17NO3 — CID 4719059

IUPAC2-[(2,4-dimethoxyphenyl)methylamino]ethanol
SMILESCOc1ccc(CNCCO)c(OC)c1
InChIInChI=1S/C11H17NO3/c1-14-10-4-3-9(8-12-5-6-13)11(7-10)15-2/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyKPLYXEDOBUIZRG-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.79
Rot. Bonds6

About 2-[(2,4-dimethoxyphenyl)methylamino]ethanol

2-[(2,4-dimethoxyphenyl)methylamino]ethanol (PubChem CID 4719059) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylamino]ethanol
PubChem CID4719059
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[(2,4-dimethoxyphenyl)methylamino]ethanol
SMILESCOc1ccc(CNCCO)c(OC)c1
InChIInChI=1S/C11H17NO3/c1-14-10-4-3-9(8-12-5-6-13)11(7-10)15-2/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyKPLYXEDOBUIZRG-UHFFFAOYSA-N
XLogP0.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2,4-dimethoxyphenyl)methylamino]ethanol?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]ethanol (CID 4719059) is 2-[(2,4-dimethoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylamino]ethanol is COc1ccc(CNCCO)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylamino]ethanol?
The InChIKey is KPLYXEDOBUIZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-14-10-4-3-9(8-12-5-6-13)11(7-10)15-2/h3-4,7,12-13H,5-6,8H2,1-2H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylamino]ethanol?
2-[(2,4-dimethoxyphenyl)methylamino]ethanol has a molecular weight of 211.26 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 4719059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).