8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine

C17H20FNOS — CID 43769833

IUPAC8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(CCc1ccco1)NC1CCSc2c(F)cccc21
InChIInChI=1S/C17H20FNOS/c1-12(7-8-13-4-3-10-20-13)19-16-9-11-21-17-14(16)5-2-6-15(17)18/h2-6,10,12,16,19H,7-9,11H2,1H3
InChIKeyBEBXUMLBXNHINH-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.57
Rot. Bonds5

About 8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine

8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43769833) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is 8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43769833
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(CCc1ccco1)NC1CCSc2c(F)cccc21
InChIInChI=1S/C17H20FNOS/c1-12(7-8-13-4-3-10-20-13)19-16-9-11-21-17-14(16)5-2-6-15(17)18/h2-6,10,12,16,19H,7-9,11H2,1H3
InChIKeyBEBXUMLBXNHINH-UHFFFAOYSA-N
XLogP4.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine with MolForge

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980736
3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol
CID 113262036
N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine
CID 102671262
4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 64912576
3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine
CID 43634569
2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107
8-fluoro-N-(2-methylsulfinylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115896118
3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine
CID 54968206
8-fluoro-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113348557
8-fluoro-N-(furan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115607143
8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232589
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 63360149

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine (CID 43769833) is 8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine is CC(CCc1ccco1)NC1CCSc2c(F)cccc21.
What is the InChIKey of 8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is BEBXUMLBXNHINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-12(7-8-13-4-3-10-20-13)19-16-9-11-21-17-14(16)5-2-6-15(17)18/h2-6,10,12,16,19H,7-9,11H2,1H3.
What are the key properties of 8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine?
8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 305.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43769833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).