1-(2-methylthiophen-3-yl)-2-propoxyethanamine

C10H17NOS — CID 102832182

IUPAC1-(2-methylthiophen-3-yl)-2-propoxyethanamine
SMILESCCCOCC(N)c1ccsc1C
InChIInChI=1S/C10H17NOS/c1-3-5-12-7-10(11)9-4-6-13-8(9)2/h4,6,10H,3,5,7,11H2,1-2H3
InChIKeyCQZYDQQUEWYINR-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.48
Rot. Bonds5

About 1-(2-methylthiophen-3-yl)-2-propoxyethanamine

1-(2-methylthiophen-3-yl)-2-propoxyethanamine (PubChem CID 102832182) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)-2-propoxyethanamine.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)-2-propoxyethanamine
PubChem CID102832182
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name1-(2-methylthiophen-3-yl)-2-propoxyethanamine
SMILESCCCOCC(N)c1ccsc1C
InChIInChI=1S/C10H17NOS/c1-3-5-12-7-10(11)9-4-6-13-8(9)2/h4,6,10H,3,5,7,11H2,1-2H3
InChIKeyCQZYDQQUEWYINR-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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)-3-propoxypropyl]hydrazine
CID 102843370
3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 103029545
1-(4-bromothiophen-3-yl)-2-propoxyethanamine
CID 79595871
1-(3-bromo-2-methylphenyl)-2-propoxyethanamine
CID 105008530
2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102840919
1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine
CID 105165411
1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine
CID 62789887
(1R)-1-(2-methylthiophen-3-yl)ethanamine
CID 46839608
[1-(3-methylthiophen-2-yl)-2-propoxyethyl]hydrazine
CID 105210038
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102841282

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)-2-propoxyethanamine?
The IUPAC name of 1-(2-methylthiophen-3-yl)-2-propoxyethanamine (CID 102832182) is 1-(2-methylthiophen-3-yl)-2-propoxyethanamine.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)-2-propoxyethanamine?
The canonical SMILES for 1-(2-methylthiophen-3-yl)-2-propoxyethanamine is CCCOCC(N)c1ccsc1C.
What is the InChIKey of 1-(2-methylthiophen-3-yl)-2-propoxyethanamine?
The InChIKey is CQZYDQQUEWYINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-5-12-7-10(11)9-4-6-13-8(9)2/h4,6,10H,3,5,7,11H2,1-2H3.
What are the key properties of 1-(2-methylthiophen-3-yl)-2-propoxyethanamine?
1-(2-methylthiophen-3-yl)-2-propoxyethanamine has a molecular weight of 199.32 g/mol, XLogP of 2.48, 5 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-propoxyethanamine is sourced from PubChem (CID 102832182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).