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

C14H25NO2S — CID 62597124

IUPAC2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCCCOCCOCCNCc1sccc1C
InChIInChI=1S/C14H25NO2S/c1-3-4-7-16-9-10-17-8-6-15-12-14-13(2)5-11-18-14/h5,11,15H,3-4,6-10,12H2,1-2H3
InChIKeyRUKNRTLKCBTZOS-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.98
Rot. Bonds11

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

2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 62597124) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID62597124
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCCCOCCOCCNCc1sccc1C
InChIInChI=1S/C14H25NO2S/c1-3-4-7-16-9-10-17-8-6-15-12-14-13(2)5-11-18-14/h5,11,15H,3-4,6-10,12H2,1-2H3
InChIKeyRUKNRTLKCBTZOS-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine
CID 62579245
2-butylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 106512473
2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62584380
N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentylethane-1,2-diamine
CID 62561880
N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 82943480
2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 107668633
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
2-butoxy-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539322
N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106513305
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 62597124) is 2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is CCCCOCCOCCNCc1sccc1C.
What is the InChIKey of 2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is RUKNRTLKCBTZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-3-4-7-16-9-10-17-8-6-15-12-14-13(2)5-11-18-14/h5,11,15H,3-4,6-10,12H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 271.43 g/mol, XLogP of 2.98, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 62597124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).