1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine

C16H19NS — CID 114246857

IUPAC1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine
SMILESNC(c1cc2ccccc2s1)C1CC2CCC1C2
InChIInChI=1S/C16H19NS/c17-16(13-8-10-5-6-11(13)7-10)15-9-12-3-1-2-4-14(12)18-15/h1-4,9-11,13,16H,5-8,17H2
InChIKeyVTRNIFPVWNLCNO-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.34
Rot. Bonds2

About 1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine

1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine (PubChem CID 114246857) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine
PubChem CID114246857
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine
SMILESNC(c1cc2ccccc2s1)C1CC2CCC1C2
InChIInChI=1S/C16H19NS/c17-16(13-8-10-5-6-11(13)7-10)15-9-12-3-1-2-4-14(12)18-15/h1-4,9-11,13,16H,5-8,17H2
InChIKeyVTRNIFPVWNLCNO-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 114193144
1-(2-bicyclo[2.2.1]heptanyl)-2-naphthalen-1-ylethanamine
CID 63528750
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine
CID 113383478
2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 114910962
2-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-1,3-benzothiazole
CID 66461747
1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine
CID 114910264
2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine
CID 114911206
2-[chloro(cyclohexyl)methyl]-1-benzothiophene
CID 66778612
N-[1-(1-benzothiophen-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 114909997
2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine
CID 116545069

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine?
The IUPAC name of 1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine (CID 114246857) is 1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine.
What is the SMILES notation for 1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine?
The canonical SMILES for 1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine is NC(c1cc2ccccc2s1)C1CC2CCC1C2.
What is the InChIKey of 1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine?
The InChIKey is VTRNIFPVWNLCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c17-16(13-8-10-5-6-11(13)7-10)15-9-12-3-1-2-4-14(12)18-15/h1-4,9-11,13,16H,5-8,17H2.
What are the key properties of 1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine?
1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine has a molecular weight of 257.40 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine is sourced from PubChem (CID 114246857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).