3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine

C11H19NOS — CID 103029545

IUPAC3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
SMILESCOC(C)(C)CC(N)c1ccsc1C
InChIInChI=1S/C11H19NOS/c1-8-9(5-6-14-8)10(12)7-11(2,3)13-4/h5-6,10H,7,12H2,1-4H3
InChIKeyAZHSOIZXJQWQLI-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.87
Rot. Bonds4

About 3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine

3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine (PubChem CID 103029545) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
PubChem CID103029545
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
SMILESCOC(C)(C)CC(N)c1ccsc1C
InChIInChI=1S/C11H19NOS/c1-8-9(5-6-14-8)10(12)7-11(2,3)13-4/h5-6,10H,7,12H2,1-4H3
InChIKeyAZHSOIZXJQWQLI-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
CID 102842113
4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102841429
1-(2-methylthiophen-3-yl)-2-propoxyethanamine
CID 102832182
3-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103435571
3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol
CID 130581546
2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102840919
(1R)-1-(2-methylthiophen-3-yl)ethanamine
CID 46839608
2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832955
2-methoxy-N,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102833225
[3,3-dimethyl-1-(2-methylthiophen-3-yl)butyl]hydrazine
CID 102842769
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102841282
2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832948

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine (CID 103029545) is 3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine is COC(C)(C)CC(N)c1ccsc1C.
What is the InChIKey of 3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine?
The InChIKey is AZHSOIZXJQWQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-8-9(5-6-14-8)10(12)7-11(2,3)13-4/h5-6,10H,7,12H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine?
3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine is sourced from PubChem (CID 103029545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).