1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine

C13H21NO2S — CID 63557622

IUPAC1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
SMILESCCC(N)C(OC1CCOC1)c1sccc1C
InChIInChI=1S/C13H21NO2S/c1-3-11(14)12(13-9(2)5-7-17-13)16-10-4-6-15-8-10/h5,7,10-12H,3-4,6,8,14H2,1-2H3
InChIKeyLVEUJWVBOCMGKX-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.64
Rot. Bonds5

About 1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine

1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine (PubChem CID 63557622) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
PubChem CID63557622
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
SMILESCCC(N)C(OC1CCOC1)c1sccc1C
InChIInChI=1S/C13H21NO2S/c1-3-11(14)12(13-9(2)5-7-17-13)16-10-4-6-15-8-10/h5,7,10-12H,3-4,6,8,14H2,1-2H3
InChIKeyLVEUJWVBOCMGKX-UHFFFAOYSA-N
XLogP2.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
CID 55220622
1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 66322795
(3-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 62906714
1-(3-methylthiophen-2-yl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79325828
1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 63457801
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 102721766
1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine
CID 55232648
1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine
CID 112587258
1-(2-methylphenyl)-1-(oxolan-3-yloxy)propan-2-amine
CID 63559231
1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021106
2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine
CID 83823387
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-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine (CID 63557622) is 1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine is CCC(N)C(OC1CCOC1)c1sccc1C.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine?
The InChIKey is LVEUJWVBOCMGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-3-11(14)12(13-9(2)5-7-17-13)16-10-4-6-15-8-10/h5,7,10-12H,3-4,6,8,14H2,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine?
1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine has a molecular weight of 255.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine is sourced from PubChem (CID 63557622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).