2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine

C10H18N2OS — CID 12788084

IUPAC2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine
SMILESCN(C)Cc1ccc(COCCN)s1
InChIInChI=1S/C10H18N2OS/c1-12(2)7-9-3-4-10(14-9)8-13-6-5-11/h3-4H,5-8,11H2,1-2H3
InChIKeyPJRHMPBQHAKSMD-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.28
Rot. Bonds6

About 2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine

2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine (PubChem CID 12788084) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine.

Molecular Properties

Compound Name2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine
PubChem CID12788084
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine
SMILESCN(C)Cc1ccc(COCCN)s1
InChIInChI=1S/C10H18N2OS/c1-12(2)7-9-3-4-10(14-9)8-13-6-5-11/h3-4H,5-8,11H2,1-2H3
InChIKeyPJRHMPBQHAKSMD-UHFFFAOYSA-N
XLogP1.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.28
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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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine?
The IUPAC name of 2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine (CID 12788084) is 2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine.
What is the SMILES notation for 2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine?
The canonical SMILES for 2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine is CN(C)Cc1ccc(COCCN)s1.
What is the InChIKey of 2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine?
The InChIKey is PJRHMPBQHAKSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-12(2)7-9-3-4-10(14-9)8-13-6-5-11/h3-4H,5-8,11H2,1-2H3.
What are the key properties of 2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine?
2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine has a molecular weight of 214.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methoxy]ethanamine is sourced from PubChem (CID 12788084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).