2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol

C12H20N2O2 — CID 102814298

IUPAC2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol
SMILESCOCCN(CCO)c1cccc(CN)c1
InChIInChI=1S/C12H20N2O2/c1-16-8-6-14(5-7-15)12-4-2-3-11(9-12)10-13/h2-4,9,15H,5-8,10,13H2,1H3
InChIKeyVJNMMCQNHVVBQC-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.59
Rot. Bonds7

About 2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol

2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol (PubChem CID 102814298) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol
PubChem CID102814298
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol
SMILESCOCCN(CCO)c1cccc(CN)c1
InChIInChI=1S/C12H20N2O2/c1-16-8-6-14(5-7-15)12-4-2-3-11(9-12)10-13/h2-4,9,15H,5-8,10,13H2,1H3
InChIKeyVJNMMCQNHVVBQC-UHFFFAOYSA-N
XLogP0.59
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol?
The IUPAC name of 2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol (CID 102814298) is 2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol?
The canonical SMILES for 2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol is COCCN(CCO)c1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol?
The InChIKey is VJNMMCQNHVVBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-16-8-6-14(5-7-15)12-4-2-3-11(9-12)10-13/h2-4,9,15H,5-8,10,13H2,1H3.
What are the key properties of 2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol?
2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol has a molecular weight of 224.30 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol is sourced from PubChem (CID 102814298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).