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

C14H25NO3S — CID 103176953

IUPAC1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine
SMILESCOCCCOCCOC(c1sccc1C)C(C)N
InChIInChI=1S/C14H25NO3S/c1-11-5-10-19-14(11)13(12(2)15)18-9-8-17-7-4-6-16-3/h5,10,12-13H,4,6-9,15H2,1-3H3
InChIKeyHXSOEVAAMLIZFM-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.51
Rot. Bonds10

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

1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine (PubChem CID 103176953) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine
PubChem CID103176953
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine
SMILESCOCCCOCCOC(c1sccc1C)C(C)N
InChIInChI=1S/C14H25NO3S/c1-11-5-10-19-14(11)13(12(2)15)18-9-8-17-7-4-6-16-3/h5,10,12-13H,4,6-9,15H2,1-3H3
InChIKeyHXSOEVAAMLIZFM-UHFFFAOYSA-N
XLogP2.51
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.51
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-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 106199961
1-[2-(3-methoxypropoxy)ethoxy]-1-(2-methylphenyl)propan-2-amine
CID 103176903
1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 66233569
1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine
CID 55232648
1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine
CID 103176978
1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine
CID 103176909
1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine
CID 55019252
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
4-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 63992497
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819
1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 106664979

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine (CID 103176953) is 1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine is COCCCOCCOC(c1sccc1C)C(C)N.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine?
The InChIKey is HXSOEVAAMLIZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-11-5-10-19-14(11)13(12(2)15)18-9-8-17-7-4-6-16-3/h5,10,12-13H,4,6-9,15H2,1-3H3.
What are the key properties of 1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine?
1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine has a molecular weight of 287.43 g/mol, XLogP of 2.51, 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-(3-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 103176953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).