1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine

C10H17NOS — CID 102842113

IUPAC1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
SMILESCc1sccc1C(N)COC(C)C
InChIInChI=1S/C10H17NOS/c1-7(2)12-6-10(11)9-4-5-13-8(9)3/h4-5,7,10H,6,11H2,1-3H3
InChIKeyXJIFHSSAYUEHBH-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.48
Rot. Bonds4

About 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine

1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine (PubChem CID 102842113) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
PubChem CID102842113
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
SMILESCc1sccc1C(N)COC(C)C
InChIInChI=1S/C10H17NOS/c1-7(2)12-6-10(11)9-4-5-13-8(9)3/h4-5,7,10H,6,11H2,1-3H3
InChIKeyXJIFHSSAYUEHBH-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol
CID 102842375
1-(2-methylthiophen-3-yl)-2-propoxyethanamine
CID 102832182
4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102841429
(1R)-1-(2-methylthiophen-3-yl)ethanamine
CID 46839608
3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 103029545
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102841282
2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102840919
1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 115577931
(2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine
CID 102832815
2-propan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43184569
1-(2-ethylphenyl)-2-propan-2-yloxyethanamine
CID 105013375
2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832955

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine (CID 102842113) is 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine is Cc1sccc1C(N)COC(C)C.
What is the InChIKey of 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine?
The InChIKey is XJIFHSSAYUEHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7(2)12-6-10(11)9-4-5-13-8(9)3/h4-5,7,10H,6,11H2,1-3H3.
What are the key properties of 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine?
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine has a molecular weight of 199.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 102842113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).