2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine

C10H17ClN2OS — CID 79478506

IUPAC2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine
SMILESCN(CCOCCN)Cc1ccc(Cl)s1
InChIInChI=1S/C10H17ClN2OS/c1-13(5-7-14-6-4-12)8-9-2-3-10(11)15-9/h2-3H,4-8,12H2,1H3
InChIKeyBUKLUSGVNZUXKN-UHFFFAOYSA-N
MW248.78 g/mol
LogP1.81
Rot. Bonds7

About 2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine

2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine (PubChem CID 79478506) has the molecular formula C10H17ClN2OS and a molecular weight of 248.78 g/mol. Its IUPAC name is 2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine
PubChem CID79478506
Molecular FormulaC10H17ClN2OS
Molecular Weight248.78 g/mol
Exact Mass248.08
IUPAC Name2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine
SMILESCN(CCOCCN)Cc1ccc(Cl)s1
InChIInChI=1S/C10H17ClN2OS/c1-13(5-7-14-6-4-12)8-9-2-3-10(11)15-9/h2-3H,4-8,12H2,1H3
InChIKeyBUKLUSGVNZUXKN-UHFFFAOYSA-N
XLogP1.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.78
LogP ≤ 51.81
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-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylethanamine
CID 81322722
N'-[(5-chlorothiophen-2-yl)methyl]-N',2,2-trimethylpentane-1,5-diamine
CID 65253875
4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]benzonitrile
CID 60669901
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 55103655
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
2-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]phenyl]acetonitrile
CID 61438180
2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine
CID 65480533
N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine
CID 115226192
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 65232938
[(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide
CID 63705419
N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 43373764

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine?
The IUPAC name of 2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine (CID 79478506) is 2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine is CN(CCOCCN)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine?
The InChIKey is BUKLUSGVNZUXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2OS/c1-13(5-7-14-6-4-12)8-9-2-3-10(11)15-9/h2-3H,4-8,12H2,1H3.
What are the key properties of 2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine?
2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine has a molecular weight of 248.78 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine is sourced from PubChem (CID 79478506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).