1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine

C10H17NOS — CID 62319829

IUPAC1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine
SMILESCNC(CCc1ccsc1)COC
InChIInChI=1S/C10H17NOS/c1-11-10(7-12-2)4-3-9-5-6-13-8-9/h5-6,8,10-11H,3-4,7H2,1-2H3
InChIKeyQSLGFSRAVKMEIS-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.92
Rot. Bonds6

About 1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine

1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine (PubChem CID 62319829) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine
PubChem CID62319829
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine
SMILESCNC(CCc1ccsc1)COC
InChIInChI=1S/C10H17NOS/c1-11-10(7-12-2)4-3-9-5-6-13-8-9/h5-6,8,10-11H,3-4,7H2,1-2H3
InChIKeyQSLGFSRAVKMEIS-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 61078016
4-chloro-1-methoxy-N-(2-thiophen-3-ylethyl)butan-2-amine
CID 106152449
N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
CID 61078547
N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine
CID 105147895
4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine
CID 62320365
N-ethyl-1-methoxy-3-thiophen-3-ylpropan-2-amine
CID 62604477
1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 116661623
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
1-(1-methoxycyclopentyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 113432820
1,4-di(thiophen-3-yl)butan-2-ylhydrazine
CID 105306843
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
3-(4-methoxypent-3-enyl)thiophene
CID 163190308

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine (CID 62319829) is 1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine is CNC(CCc1ccsc1)COC.
What is the InChIKey of 1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine?
The InChIKey is QSLGFSRAVKMEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-11-10(7-12-2)4-3-9-5-6-13-8-9/h5-6,8,10-11H,3-4,7H2,1-2H3.
What are the key properties of 1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine?
1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 62319829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).