1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine

C15H27NO2S — CID 112587258

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(OCCOC(C)(C)C)c1sccc1C
InChIInChI=1S/C15H27NO2S/c1-6-12(16)13(14-11(2)7-10-19-14)17-8-9-18-15(3,4)5/h7,10,12-13H,6,8-9,16H2,1-5H3
InChIKeyNNMXUDBTLAAKPX-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.67
Rot. Bonds7

About 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine

1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine (PubChem CID 112587258) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine
PubChem CID112587258
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(OCCOC(C)(C)C)c1sccc1C
InChIInChI=1S/C15H27NO2S/c1-6-12(16)13(14-11(2)7-10-19-14)17-8-9-18-15(3,4)5/h7,10,12-13H,6,8-9,16H2,1-5H3
InChIKeyNNMXUDBTLAAKPX-UHFFFAOYSA-N
XLogP3.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.67
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-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 106664979
1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine
CID 55232648
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 102721766
1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 66322795
1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 66233569
1-(4-chloro-3,5-dimethylphenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 63460480
1-(3-methylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 115941853
1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 106199961
1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 63457801
1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
CID 63557622
1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol
CID 79384397
1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine
CID 103176953

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine (CID 112587258) is 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine is CCC(N)C(OCCOC(C)(C)C)c1sccc1C.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine?
The InChIKey is NNMXUDBTLAAKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-6-12(16)13(14-11(2)7-10-19-14)17-8-9-18-15(3,4)5/h7,10,12-13H,6,8-9,16H2,1-5H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine?
1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine has a molecular weight of 285.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine is sourced from PubChem (CID 112587258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).