N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine

C18H18FNS — CID 103777403

IUPACN-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NC1Cc2ccccc2C1
InChIInChI=1S/C18H18FNS/c19-16-7-3-6-15-17(8-9-21-18(15)16)20-14-10-12-4-1-2-5-13(12)11-14/h1-7,14,17,20H,8-11H2
InChIKeyJSJJXZRCFFXASI-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.12
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine

N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 103777403) has the molecular formula C18H18FNS and a molecular weight of 299.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID103777403
Molecular FormulaC18H18FNS
Molecular Weight299.41 g/mol
Exact Mass299.11
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NC1Cc2ccccc2C1
InChIInChI=1S/C18H18FNS/c19-16-7-3-6-15-17(8-9-21-18(15)16)20-14-10-12-4-1-2-5-13(12)11-14/h1-7,14,17,20H,8-11H2
InChIKeyJSJJXZRCFFXASI-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine with MolForge

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Related Compounds

8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103606076
N-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 64739918
8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232589
N-(2-ethylcyclopropyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 113261603
N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43768553
N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43765030
2-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 42921932
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714327
[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium
CID 7131598
N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43758238
8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 66352531
8-fluoro-N-(2-phenylsulfanylethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 60976209

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine (CID 103777403) is N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine is Fc1cccc2c1SCCC2NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is JSJJXZRCFFXASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNS/c19-16-7-3-6-15-17(8-9-21-18(15)16)20-14-10-12-4-1-2-5-13(12)11-14/h1-7,14,17,20H,8-11H2.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 299.41 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 103777403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).