2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C12H19NOS — CID 62584380

IUPAC2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNCCOC1CCC1
InChIInChI=1S/C12H19NOS/c1-10-5-8-15-12(10)9-13-6-7-14-11-3-2-4-11/h5,8,11,13H,2-4,6-7,9H2,1H3
InChIKeyKJWDMNNYMQTEJY-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.72
Rot. Bonds6

About 2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine

2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 62584380) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID62584380
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNCCOC1CCC1
InChIInChI=1S/C12H19NOS/c1-10-5-8-15-12(10)9-13-6-7-14-11-3-2-4-11/h5,8,11,13H,2-4,6-7,9H2,1H3
InChIKeyKJWDMNNYMQTEJY-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.72
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

2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62598139
N-[2-[(2-cyclohexyloxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386410
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
2-(2-methylpropoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60957602
2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62597124
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 113336269
1-(3-cyclohexyloxypropyl)-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111398265
2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 102657001
2-(3-fluoro-4-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 107170989
2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63505783
2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60664869
2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115968035

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 62584380) is 2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine is Cc1ccsc1CNCCOC1CCC1.
What is the InChIKey of 2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is KJWDMNNYMQTEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10-5-8-15-12(10)9-13-6-7-14-11-3-2-4-11/h5,8,11,13H,2-4,6-7,9H2,1H3.
What are the key properties of 2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 62584380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).