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

C18H18FNS — CID 174742443

IUPAC2-fluoro-N-(2-phenylcyclopropyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFC1CC(NC2CC2c2ccccc2)c2ccccc2S1
InChIInChI=1S/C18H18FNS/c19-18-11-16(13-8-4-5-9-17(13)21-18)20-15-10-14(15)12-6-2-1-3-7-12/h1-9,14-16,18,20H,10-11H2
InChIKeyILHCJQPBLZDXJY-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.66
Rot. Bonds3

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

2-fluoro-N-(2-phenylcyclopropyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 174742443) has the molecular formula C18H18FNS and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-fluoro-N-(2-phenylcyclopropyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name2-fluoro-N-(2-phenylcyclopropyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID174742443
Molecular FormulaC18H18FNS
Molecular Weight299.41 g/mol
Exact Mass299.11
IUPAC Name2-fluoro-N-(2-phenylcyclopropyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFC1CC(NC2CC2c2ccccc2)c2ccccc2S1
InChIInChI=1S/C18H18FNS/c19-18-11-16(13-8-4-5-9-17(13)21-18)20-15-10-14(15)12-6-2-1-3-7-12/h1-9,14-16,18,20H,10-11H2
InChIKeyILHCJQPBLZDXJY-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-phenylcyclopropyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 2-fluoro-N-(2-phenylcyclopropyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 174742443) is 2-fluoro-N-(2-phenylcyclopropyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 2-fluoro-N-(2-phenylcyclopropyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 2-fluoro-N-(2-phenylcyclopropyl)-3,4-dihydro-2H-thiochromen-4-amine is FC1CC(NC2CC2c2ccccc2)c2ccccc2S1.
What is the InChIKey of 2-fluoro-N-(2-phenylcyclopropyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is ILHCJQPBLZDXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNS/c19-18-11-16(13-8-4-5-9-17(13)21-18)20-15-10-14(15)12-6-2-1-3-7-12/h1-9,14-16,18,20H,10-11H2.
What are the key properties of 2-fluoro-N-(2-phenylcyclopropyl)-3,4-dihydro-2H-thiochromen-4-amine?
2-fluoro-N-(2-phenylcyclopropyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 299.41 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-phenylcyclopropyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 174742443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).