N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine

C17H18FNOS — CID 43758238

IUPACN-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCOc1ccccc1NC1CCSc2c(F)cccc21
InChIInChI=1S/C17H18FNOS/c1-2-20-16-9-4-3-8-15(16)19-14-10-11-21-17-12(14)6-5-7-13(17)18/h3-9,14,19H,2,10-11H2,1H3
InChIKeyLFVVLVGBJMQKIW-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.87
Rot. Bonds4

About N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine

N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43758238) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43758238
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCOc1ccccc1NC1CCSc2c(F)cccc21
InChIInChI=1S/C17H18FNOS/c1-2-20-16-9-4-3-8-15(16)19-14-10-11-21-17-12(14)6-5-7-13(17)18/h3-9,14,19H,2,10-11H2,1H3
InChIKeyLFVVLVGBJMQKIW-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine 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 N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine (CID 43758238) is N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine is CCOc1ccccc1NC1CCSc2c(F)cccc21.
What is the InChIKey of N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is LFVVLVGBJMQKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-2-20-16-9-4-3-8-15(16)19-14-10-11-21-17-12(14)6-5-7-13(17)18/h3-9,14,19H,2,10-11H2,1H3.
What are the key properties of N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 303.40 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43758238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).