N-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine

C15H14FNS — CID 43194251

IUPACN-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc(NC2CCSc3ccccc32)c1
InChIInChI=1S/C15H14FNS/c16-11-4-3-5-12(10-11)17-14-8-9-18-15-7-2-1-6-13(14)15/h1-7,10,14,17H,8-9H2
InChIKeyAUHVLRWACXKRPN-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.47
Rot. Bonds2

About N-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine

N-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43194251) has the molecular formula C15H14FNS and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43194251
Molecular FormulaC15H14FNS
Molecular Weight259.35 g/mol
Exact Mass259.08
IUPAC NameN-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc(NC2CCSc3ccccc32)c1
InChIInChI=1S/C15H14FNS/c16-11-4-3-5-12(10-11)17-14-8-9-18-15-7-2-1-6-13(14)15/h1-7,10,14,17H,8-9H2
InChIKeyAUHVLRWACXKRPN-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43194251) is N-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine is Fc1cccc(NC2CCSc3ccccc32)c1.
What is the InChIKey of N-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is AUHVLRWACXKRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNS/c16-11-4-3-5-12(10-11)17-14-8-9-18-15-7-2-1-6-13(14)15/h1-7,10,14,17H,8-9H2.
What are the key properties of N-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 259.35 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43194251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).