4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol

C8H19NO3 — CID 64899711

IUPAC4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol
SMILESCNC(CCO)COCCOC
InChIInChI=1S/C8H19NO3/c1-9-8(3-4-10)7-12-6-5-11-2/h8-10H,3-7H2,1-2H3
InChIKeyPYEKGWBVOILHLF-UHFFFAOYSA-N
MW177.24 g/mol
LogP-0.38
Rot. Bonds8

About 4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol

4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol (PubChem CID 64899711) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol
PubChem CID64899711
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol
SMILESCNC(CCO)COCCOC
InChIInChI=1S/C8H19NO3/c1-9-8(3-4-10)7-12-6-5-11-2/h8-10H,3-7H2,1-2H3
InChIKeyPYEKGWBVOILHLF-UHFFFAOYSA-N
XLogP-0.38
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-0.38
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

3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol
CID 106447159
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol
CID 104560529
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567739
4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 87736980
1-methoxy-N-methyl-3-(2-propoxyethoxy)propan-2-amine
CID 107506859
4-(3-methoxypropylsulfanyl)-3-(methylamino)butan-1-ol
CID 64928738
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methylpropan-2-amine
CID 104560632
1-[2-(2-methoxyethoxy)ethoxy]-N-methylpropan-2-amine
CID 104560820
N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine
CID 106447296
4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol
CID 64899469
4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol
CID 64898384

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol?
The IUPAC name of 4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol (CID 64899711) is 4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol?
The canonical SMILES for 4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol is CNC(CCO)COCCOC.
What is the InChIKey of 4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol?
The InChIKey is PYEKGWBVOILHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3/c1-9-8(3-4-10)7-12-6-5-11-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol?
4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol has a molecular weight of 177.24 g/mol, XLogP of -0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol is sourced from PubChem (CID 64899711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).