N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C17H18FNS — CID 115714273

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESFc1ccc2c(c1)CCC2NC1CCCc2sccc21
InChIInChI=1S/C17H18FNS/c18-12-5-6-13-11(10-12)4-7-16(13)19-15-2-1-3-17-14(15)8-9-20-17/h5-6,8-10,15-16,19H,1-4,7H2
InChIKeyHCHYZAVNDCDJNR-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.54
Rot. Bonds2

About N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 115714273) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID115714273
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESFc1ccc2c(c1)CCC2NC1CCCc2sccc21
InChIInChI=1S/C17H18FNS/c18-12-5-6-13-11(10-12)4-7-16(13)19-15-2-1-3-17-14(15)8-9-20-17/h5-6,8-10,15-16,19H,1-4,7H2
InChIKeyHCHYZAVNDCDJNR-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 115714273) is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is Fc1ccc2c(c1)CCC2NC1CCCc2sccc21.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is HCHYZAVNDCDJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c18-12-5-6-13-11(10-12)4-7-16(13)19-15-2-1-3-17-14(15)8-9-20-17/h5-6,8-10,15-16,19H,1-4,7H2.
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 287.40 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 115714273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).