3-methoxy-1-thiophen-3-ylbutan-2-amine

C9H15NOS — CID 79616789

IUPAC3-methoxy-1-thiophen-3-ylbutan-2-amine
SMILESCOC(C)C(N)Cc1ccsc1
InChIInChI=1S/C9H15NOS/c1-7(11-2)9(10)5-8-3-4-12-6-8/h3-4,6-7,9H,5,10H2,1-2H3
InChIKeyBMFHDWYDLWNJSE-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.65
Rot. Bonds4

About 3-methoxy-1-thiophen-3-ylbutan-2-amine

3-methoxy-1-thiophen-3-ylbutan-2-amine (PubChem CID 79616789) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-methoxy-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name3-methoxy-1-thiophen-3-ylbutan-2-amine
PubChem CID79616789
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name3-methoxy-1-thiophen-3-ylbutan-2-amine
SMILESCOC(C)C(N)Cc1ccsc1
InChIInChI=1S/C9H15NOS/c1-7(11-2)9(10)5-8-3-4-12-6-8/h3-4,6-7,9H,5,10H2,1-2H3
InChIKeyBMFHDWYDLWNJSE-UHFFFAOYSA-N
XLogP1.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
3-cyclopropyl-1-thiophen-3-ylbutan-2-amine
CID 83155210
1-(4-fluorophenyl)-3-methoxybutan-2-amine
CID 79616204
2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176
3-(2-fluoropropyl)thiophene
CID 74766003
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
(2S,3S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-thiophen-3-ylbutanoic acid
CID 95476060
4-methoxy-1-thiophen-3-ylhexan-3-amine
CID 116715242
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 103155651
1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine
CID 55095413
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-thiophen-3-ylbutane-2,3-diol
CID 103452838

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 3-methoxy-1-thiophen-3-ylbutan-2-amine (CID 79616789) is 3-methoxy-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 3-methoxy-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 3-methoxy-1-thiophen-3-ylbutan-2-amine is COC(C)C(N)Cc1ccsc1.
What is the InChIKey of 3-methoxy-1-thiophen-3-ylbutan-2-amine?
The InChIKey is BMFHDWYDLWNJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7(11-2)9(10)5-8-3-4-12-6-8/h3-4,6-7,9H,5,10H2,1-2H3.
What are the key properties of 3-methoxy-1-thiophen-3-ylbutan-2-amine?
3-methoxy-1-thiophen-3-ylbutan-2-amine has a molecular weight of 185.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 79616789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).