[5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol

C13H23NO4 — CID 112548864

IUPAC[5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol
SMILESCOCCCN(CCOC)Cc1ccc(CO)o1
InChIInChI=1S/C13H23NO4/c1-16-8-3-6-14(7-9-17-2)10-12-4-5-13(11-15)18-12/h4-5,15H,3,6-11H2,1-2H3
InChIKeyJLDBUKUGZRQNJD-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.26
Rot. Bonds10

About [5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol

[5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol (PubChem CID 112548864) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is [5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol
PubChem CID112548864
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name[5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol
SMILESCOCCCN(CCOC)Cc1ccc(CO)o1
InChIInChI=1S/C13H23NO4/c1-16-8-3-6-14(7-9-17-2)10-12-4-5-13(11-15)18-12/h4-5,15H,3,6-11H2,1-2H3
InChIKeyJLDBUKUGZRQNJD-UHFFFAOYSA-N
XLogP1.26
TPSA55.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde
CID 113372293
3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62436150
[4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenyl]methanol
CID 112631210
[5-[(dipropylamino)methyl]furan-2-yl]methanol
CID 115879634
5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022
[5-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 54985082
methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate
CID 61035373
[5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol
CID 104564733
5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
CID 82978309
4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol
CID 42839321
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide
CID 55214616

Frequently Asked Questions

What is the IUPAC name of [5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol (CID 112548864) is [5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol is COCCCN(CCOC)Cc1ccc(CO)o1.
What is the InChIKey of [5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol?
The InChIKey is JLDBUKUGZRQNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-16-8-3-6-14(7-9-17-2)10-12-4-5-13(11-15)18-12/h4-5,15H,3,6-11H2,1-2H3.
What are the key properties of [5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol?
[5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol has a molecular weight of 257.33 g/mol, XLogP of 1.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 112548864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).