3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol

C16H18FNOS — CID 65185870

IUPAC3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
SMILESNCC(c1ccccc1F)C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C16H18FNOS/c17-13-6-2-1-5-11(13)12(9-18)16(19)15-8-10-4-3-7-14(10)20-15/h1-2,5-6,8,12,16,19H,3-4,7,9,18H2
InChIKeyXIHHMUOQZDHAAF-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.15
Rot. Bonds4

About 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol

3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol (PubChem CID 65185870) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
PubChem CID65185870
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
SMILESNCC(c1ccccc1F)C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C16H18FNOS/c17-13-6-2-1-5-11(13)12(9-18)16(19)15-8-10-4-3-7-14(10)20-15/h1-2,5-6,8,12,16,19H,3-4,7,9,18H2
InChIKeyXIHHMUOQZDHAAF-UHFFFAOYSA-N
XLogP3.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol with MolForge

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Related Compounds

3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol
CID 65185014
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine
CID 115827907
2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol
CID 65185849
(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43384394
(2,5-difluorophenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 61099599
2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol
CID 79412515
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol
CID 65185260
3-amino-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185415
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 111566093
3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
(3-bromo-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 106647646
(1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
CID 96777587

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol (CID 65185870) is 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol is NCC(c1ccccc1F)C(O)c1cc2c(s1)CCC2.
What is the InChIKey of 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is XIHHMUOQZDHAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c17-13-6-2-1-5-11(13)12(9-18)16(19)15-8-10-4-3-7-14(10)20-15/h1-2,5-6,8,12,16,19H,3-4,7,9,18H2.
What are the key properties of 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol?
3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65185870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).