2-[4-methoxybutyl(methyl)amino]ethanol

C8H19NO2 — CID 115634030

IUPAC2-[4-methoxybutyl(methyl)amino]ethanol
SMILESCOCCCCN(C)CCO
InChIInChI=1S/C8H19NO2/c1-9(6-7-10)5-3-4-8-11-2/h10H,3-8H2,1-2H3
InChIKeyPBIUTLSVQGEGJY-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.34
Rot. Bonds7

About 2-[4-methoxybutyl(methyl)amino]ethanol

2-[4-methoxybutyl(methyl)amino]ethanol (PubChem CID 115634030) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-[4-methoxybutyl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[4-methoxybutyl(methyl)amino]ethanol
PubChem CID115634030
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name2-[4-methoxybutyl(methyl)amino]ethanol
SMILESCOCCCCN(C)CCO
InChIInChI=1S/C8H19NO2/c1-9(6-7-10)5-3-4-8-11-2/h10H,3-8H2,1-2H3
InChIKeyPBIUTLSVQGEGJY-UHFFFAOYSA-N
XLogP0.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
2-[2-hydroxyethyl(5-methoxypentyl)amino]ethanol
CID 146845725
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane
CID 177247615
2-[4-methoxybutyl(propan-2-yl)amino]ethanol
CID 115685977
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine
CID 143448630
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[methyl(9-sulfanylnonyl)amino]ethanol
CID 105344075
2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxybutyl(methyl)amino]ethanol?
The IUPAC name of 2-[4-methoxybutyl(methyl)amino]ethanol (CID 115634030) is 2-[4-methoxybutyl(methyl)amino]ethanol.
What is the SMILES notation for 2-[4-methoxybutyl(methyl)amino]ethanol?
The canonical SMILES for 2-[4-methoxybutyl(methyl)amino]ethanol is COCCCCN(C)CCO.
What is the InChIKey of 2-[4-methoxybutyl(methyl)amino]ethanol?
The InChIKey is PBIUTLSVQGEGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-9(6-7-10)5-3-4-8-11-2/h10H,3-8H2,1-2H3.
What are the key properties of 2-[4-methoxybutyl(methyl)amino]ethanol?
2-[4-methoxybutyl(methyl)amino]ethanol has a molecular weight of 161.25 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxybutyl(methyl)amino]ethanol is sourced from PubChem (CID 115634030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).