1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine

C14H25NO4 — CID 103176978

IUPAC1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine
SMILESCOCCCOCCOC(c1ccc(C)o1)C(C)N
InChIInChI=1S/C14H25NO4/c1-11-5-6-13(19-11)14(12(2)15)18-10-9-17-8-4-7-16-3/h5-6,12,14H,4,7-10,15H2,1-3H3
InChIKeyFSUGRYHNSBNKNW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.05
Rot. Bonds10

About 1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine

1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine (PubChem CID 103176978) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine
PubChem CID103176978
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine
SMILESCOCCCOCCOC(c1ccc(C)o1)C(C)N
InChIInChI=1S/C14H25NO4/c1-11-5-6-13(19-11)14(12(2)15)18-10-9-17-8-4-7-16-3/h5-6,12,14H,4,7-10,15H2,1-3H3
InChIKeyFSUGRYHNSBNKNW-UHFFFAOYSA-N
XLogP2.05
TPSA66.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.05
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

1-[2-(3-methoxypropoxy)ethoxy]-1-(2-methylphenyl)propan-2-amine
CID 103176903
1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine
CID 103176953
4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine
CID 105054856
1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine
CID 103176909
1-(4-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401203
1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine
CID 103401421
1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine
CID 55019252
1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
CID 104560177
1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401330
1-(5-methylfuran-2-yl)-1-(4,4,4-trifluorobutoxy)butan-2-amine
CID 82789393
2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol
CID 107708617
(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine
CID 103177829

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine (CID 103176978) is 1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine is COCCCOCCOC(c1ccc(C)o1)C(C)N.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine?
The InChIKey is FSUGRYHNSBNKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-11-5-6-13(19-11)14(12(2)15)18-10-9-17-8-4-7-16-3/h5-6,12,14H,4,7-10,15H2,1-3H3.
What are the key properties of 1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine?
1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine is sourced from PubChem (CID 103176978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).