[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

C17H23NS — CID 79221230

IUPAC[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1(CC2CSc3ccccc32)CC2CCC1C2
InChIInChI=1S/C17H23NS/c18-11-17(8-12-5-6-14(17)7-12)9-13-10-19-16-4-2-1-3-15(13)16/h1-4,12-14H,5-11,18H2
InChIKeyLJAWEUBXNFYYII-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.03
Rot. Bonds3

About [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 79221230) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID79221230
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1(CC2CSc3ccccc32)CC2CCC1C2
InChIInChI=1S/C17H23NS/c18-11-17(8-12-5-6-14(17)7-12)9-13-10-19-16-4-2-1-3-15(13)16/h1-4,12-14H,5-11,18H2
InChIKeyLJAWEUBXNFYYII-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (CID 79221230) is [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is NCC1(CC2CSc3ccccc32)CC2CCC1C2.
What is the InChIKey of [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is LJAWEUBXNFYYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c18-11-17(8-12-5-6-14(17)7-12)9-13-10-19-16-4-2-1-3-15(13)16/h1-4,12-14H,5-11,18H2.
What are the key properties of [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 273.44 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 79221230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).