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

C12H20N2OS — CID 102657001

IUPAC2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNCCOC1(C)CNC1
InChIInChI=1S/C12H20N2OS/c1-10-3-6-16-11(10)7-13-4-5-15-12(2)8-14-9-12/h3,6,13-14H,4-5,7-9H2,1-2H3
InChIKeyDJJVMIGHHCEEPF-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.52
Rot. Bonds6

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

2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 102657001) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID102657001
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNCCOC1(C)CNC1
InChIInChI=1S/C12H20N2OS/c1-10-3-6-16-11(10)7-13-4-5-15-12(2)8-14-9-12/h3,6,13-14H,4-5,7-9H2,1-2H3
InChIKeyDJJVMIGHHCEEPF-UHFFFAOYSA-N
XLogP1.52
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
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
2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62584380
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-(2-methyl-1,3-dioxolan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 104624941
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-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62598139
N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62553697
2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63273329
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63515590

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 102657001) is 2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine is Cc1ccsc1CNCCOC1(C)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is DJJVMIGHHCEEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-3-6-16-11(10)7-13-4-5-15-12(2)8-14-9-12/h3,6,13-14H,4-5,7-9H2,1-2H3.
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 240.37 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 102657001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).