1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine

C12H16ClNOS — CID 107359746

IUPAC1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
SMILESCNC(c1sccc1Cl)C1CC2CCC1O2
InChIInChI=1S/C12H16ClNOS/c1-14-11(12-9(13)4-5-16-12)8-6-7-2-3-10(8)15-7/h4-5,7-8,10-11,14H,2-3,6H2,1H3
InChIKeyZYTHBQJGUZDBBU-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.23
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine

1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine (PubChem CID 107359746) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
PubChem CID107359746
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
SMILESCNC(c1sccc1Cl)C1CC2CCC1O2
InChIInChI=1S/C12H16ClNOS/c1-14-11(12-9(13)4-5-16-12)8-6-7-2-3-10(8)15-7/h4-5,7-8,10-11,14H,2-3,6H2,1H3
InChIKeyZYTHBQJGUZDBBU-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 80529179
1-(3-chlorothiophen-2-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 107360141
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 64990064
1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 114728720
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83154901
2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107308630
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 79705419
2-[4-chloro-5-[methylamino(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652491
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 114728721
1-(3-chlorothiophen-2-yl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylmethanamine
CID 105012018
[(3-chlorothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 107362358
N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 80529262

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine (CID 107359746) is 1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine is CNC(c1sccc1Cl)C1CC2CCC1O2.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The InChIKey is ZYTHBQJGUZDBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-14-11(12-9(13)4-5-16-12)8-6-7-2-3-10(8)15-7/h4-5,7-8,10-11,14H,2-3,6H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine has a molecular weight of 257.79 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine is sourced from PubChem (CID 107359746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).