N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine

C18H17NS — CID 43781963

IUPACN-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine
SMILESc1ccc2c(c1)CCC(Nc1ccc3sccc3c1)C2
InChIInChI=1S/C18H17NS/c1-2-4-14-11-16(6-5-13(14)3-1)19-17-7-8-18-15(12-17)9-10-20-18/h1-4,7-10,12,16,19H,5-6,11H2
InChIKeyCOICKFRTIFZJMF-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.87
Rot. Bonds2

About N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine

N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine (PubChem CID 43781963) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine
PubChem CID43781963
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine
SMILESc1ccc2c(c1)CCC(Nc1ccc3sccc3c1)C2
InChIInChI=1S/C18H17NS/c1-2-4-14-11-16(6-5-13(14)3-1)19-17-7-8-18-15(12-17)9-10-20-18/h1-4,7-10,12,16,19H,5-6,11H2
InChIKeyCOICKFRTIFZJMF-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine (CID 43781963) is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine is c1ccc2c(c1)CCC(Nc1ccc3sccc3c1)C2.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine?
The InChIKey is COICKFRTIFZJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c1-2-4-14-11-16(6-5-13(14)3-1)19-17-7-8-18-15(12-17)9-10-20-18/h1-4,7-10,12,16,19H,5-6,11H2.
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine?
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine has a molecular weight of 279.41 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine is sourced from PubChem (CID 43781963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).