2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol

C15H20FNOS — CID 114750757

IUPAC2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CCSc3c(F)cccc32)CC1
InChIInChI=1S/C15H20FNOS/c16-12-3-1-2-11-13(4-9-19-14(11)12)17-10-15(5-6-15)7-8-18/h1-3,13,17-18H,4-10H2
InChIKeyXGYIJPIZJHTJFH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.11
Rot. Bonds5

About 2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol

2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol (PubChem CID 114750757) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol
PubChem CID114750757
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CCSc3c(F)cccc32)CC1
InChIInChI=1S/C15H20FNOS/c16-12-3-1-2-11-13(4-9-19-14(11)12)17-10-15(5-6-15)7-8-18/h1-3,13,17-18H,4-10H2
InChIKeyXGYIJPIZJHTJFH-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol
CID 115892905
8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232589
1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
CID 43776271
8-fluoro-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115575511
3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol
CID 113262036
4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 64912576
8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43758296
N-ethyl-9-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 43539246
8-fluoro-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113348557
8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232596
8-fluoro-N-(furan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115607143
3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol
CID 103785901

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol (CID 114750757) is 2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol is OCCC1(CNC2CCSc3c(F)cccc32)CC1.
What is the InChIKey of 2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is XGYIJPIZJHTJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNOS/c16-12-3-1-2-11-13(4-9-19-14(11)12)17-10-15(5-6-15)7-8-18/h1-3,13,17-18H,4-10H2.
What are the key properties of 2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 281.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).