2-[2-(4-methoxybutoxy)ethylamino]ethanol

C9H21NO3 — CID 150215705

IUPAC2-[2-(4-methoxybutoxy)ethylamino]ethanol
SMILESCOCCCCOCCNCCO
InChIInChI=1S/C9H21NO3/c1-12-7-2-3-8-13-9-5-10-4-6-11/h10-11H,2-9H2,1H3
InChIKeyFSKWXVUJMXLVEO-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.01
Rot. Bonds10

About 2-[2-(4-methoxybutoxy)ethylamino]ethanol

2-[2-(4-methoxybutoxy)ethylamino]ethanol (PubChem CID 150215705) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[2-(4-methoxybutoxy)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-methoxybutoxy)ethylamino]ethanol
PubChem CID150215705
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name2-[2-(4-methoxybutoxy)ethylamino]ethanol
SMILESCOCCCCOCCNCCO
InChIInChI=1S/C9H21NO3/c1-12-7-2-3-8-13-9-5-10-4-6-11/h10-11H,2-9H2,1H3
InChIKeyFSKWXVUJMXLVEO-UHFFFAOYSA-N
XLogP0.01
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.01
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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Related Compounds

N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol
CID 107703333
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
4-[2-(propylamino)ethoxy]butan-1-ol
CID 106937948
N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine
CID 103184074
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine
CID 104649724
5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol
CID 106160068
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylamino)ethanol
CID 19899992
2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine
CID 135175798
2-[1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopropyl]ethanol
CID 103179565

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxybutoxy)ethylamino]ethanol?
The IUPAC name of 2-[2-(4-methoxybutoxy)ethylamino]ethanol (CID 150215705) is 2-[2-(4-methoxybutoxy)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(4-methoxybutoxy)ethylamino]ethanol?
The canonical SMILES for 2-[2-(4-methoxybutoxy)ethylamino]ethanol is COCCCCOCCNCCO.
What is the InChIKey of 2-[2-(4-methoxybutoxy)ethylamino]ethanol?
The InChIKey is FSKWXVUJMXLVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-12-7-2-3-8-13-9-5-10-4-6-11/h10-11H,2-9H2,1H3.
What are the key properties of 2-[2-(4-methoxybutoxy)ethylamino]ethanol?
2-[2-(4-methoxybutoxy)ethylamino]ethanol has a molecular weight of 191.27 g/mol, XLogP of 0.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxybutoxy)ethylamino]ethanol is sourced from PubChem (CID 150215705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).