N-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine

C16H15ClFNS — CID 43232585

IUPACN-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NCc1ccccc1Cl
InChIInChI=1S/C16H15ClFNS/c17-13-6-2-1-4-11(13)10-19-15-8-9-20-16-12(15)5-3-7-14(16)18/h1-7,15,19H,8-10H2
InChIKeyFIOUOYIRPXNLGY-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.81
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine

N-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43232585) has the molecular formula C16H15ClFNS and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43232585
Molecular FormulaC16H15ClFNS
Molecular Weight307.82 g/mol
Exact Mass307.06
IUPAC NameN-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NCc1ccccc1Cl
InChIInChI=1S/C16H15ClFNS/c17-13-6-2-1-4-11(13)10-19-15-8-9-20-16-12(15)5-3-7-14(16)18/h1-7,15,19H,8-10H2
InChIKeyFIOUOYIRPXNLGY-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine (CID 43232585) is N-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine is Fc1cccc2c1SCCC2NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is FIOUOYIRPXNLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNS/c17-13-6-2-1-4-11(13)10-19-15-8-9-20-16-12(15)5-3-7-14(16)18/h1-7,15,19H,8-10H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
N-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 307.82 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43232585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).