1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine

C14H25NO2S — CID 55232648

IUPAC1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine
SMILESCCCOCCOC(c1sccc1C)C(N)CC
InChIInChI=1S/C14H25NO2S/c1-4-7-16-8-9-17-13(12(15)5-2)14-11(3)6-10-18-14/h6,10,12-13H,4-5,7-9,15H2,1-3H3
InChIKeyOJRBEGQJIODZGE-UHFFFAOYSA-N
MW271.43 g/mol
LogP3.28
Rot. Bonds9

About 1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine

1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine (PubChem CID 55232648) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine
PubChem CID55232648
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine
SMILESCCCOCCOC(c1sccc1C)C(N)CC
InChIInChI=1S/C14H25NO2S/c1-4-7-16-8-9-17-13(12(15)5-2)14-11(3)6-10-18-14/h6,10,12-13H,4-5,7-9,15H2,1-3H3
InChIKeyOJRBEGQJIODZGE-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine
CID 112587258
1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 106664979
1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 66322795
1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine
CID 103176953
1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine
CID 55233645
1-(4-chloro-3,5-dimethylphenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 63460480
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 102721766
N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine
CID 105166453
[1-(3-methylthiophen-2-yl)-2-propoxyethyl]hydrazine
CID 105210038
1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 63457801
1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 66233569
1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
CID 63557622

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine (CID 55232648) is 1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine is CCCOCCOC(c1sccc1C)C(N)CC.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine?
The InChIKey is OJRBEGQJIODZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-4-7-16-8-9-17-13(12(15)5-2)14-11(3)6-10-18-14/h6,10,12-13H,4-5,7-9,15H2,1-3H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine?
1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine has a molecular weight of 271.43 g/mol, XLogP of 3.28, 9 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-(2-propoxyethoxy)butan-2-amine is sourced from PubChem (CID 55232648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).