1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine

C18H23NS — CID 43485837

IUPAC1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1csc2ccccc12
InChIInChI=1S/C18H23NS/c1-19-17(10-14-9-12-6-7-13(14)8-12)16-11-20-18-5-3-2-4-15(16)18/h2-5,11-14,17,19H,6-10H2,1H3
InChIKeyOWMGRWFGWMKIAP-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.99
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine

1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine (PubChem CID 43485837) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine
PubChem CID43485837
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1csc2ccccc12
InChIInChI=1S/C18H23NS/c1-19-17(10-14-9-12-6-7-13(14)8-12)16-11-20-18-5-3-2-4-15(16)18/h2-5,11-14,17,19H,6-10H2,1H3
InChIKeyOWMGRWFGWMKIAP-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine with MolForge

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Related Compounds

[1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethyl]hydrazine
CID 105323555
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(2-propoxyphenyl)ethanamine
CID 105035765
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-pyridin-2-ylethanamine
CID 79558657
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 105167864
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine
CID 43485358
1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol
CID 61363792
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 105012696
3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol
CID 116952885
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 79562379

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine (CID 43485837) is 1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine is CNC(CC1CC2CCC1C2)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine?
The InChIKey is OWMGRWFGWMKIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-19-17(10-14-9-12-6-7-13(14)8-12)16-11-20-18-5-3-2-4-15(16)18/h2-5,11-14,17,19H,6-10H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine?
1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine is sourced from PubChem (CID 43485837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).