1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol

C16H20FNOS — CID 65185328

IUPAC1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
SMILESNCC(c1ccc(F)cc1)C(O)CCCc1cccs1
InChIInChI=1S/C16H20FNOS/c17-13-8-6-12(7-9-13)15(11-18)16(19)5-1-3-14-4-2-10-20-14/h2,4,6-10,15-16,19H,1,3,5,11,18H2
InChIKeyFNSBJINDVBXQTC-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.31
Rot. Bonds7

About 1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol

1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol (PubChem CID 65185328) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol.

Molecular Properties

Compound Name1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
PubChem CID65185328
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC Name1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
SMILESNCC(c1ccc(F)cc1)C(O)CCCc1cccs1
InChIInChI=1S/C16H20FNOS/c17-13-8-6-12(7-9-13)15(11-18)16(19)5-1-3-14-4-2-10-20-14/h2,4,6-10,15-16,19H,1,3,5,11,18H2
InChIKeyFNSBJINDVBXQTC-UHFFFAOYSA-N
XLogP3.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-2-ol
CID 12549101
[3-(Aminomethyl)-2-thienyl](phenyl)methanol
CID 56663483
2-Amino-4-[5-[5-(4-fluorophenyl)pentyl]thiophen-2-yl]-2-methylbutan-1-ol
CID 22279843
2-Amino-4-[3-fluoro-5-(5-phenylpentyl)thiophen-2-yl]-2-methylbutan-1-ol
CID 22728181
2-[(Dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol
CID 69135497
(1S,2R)-3-amino-1-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)propan-2-ol
CID 138490012
3-Amino-1-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)propan-2-ol
CID 138490013
(1R,2S)-2-amino-3-fluoro-1-(4-thiophen-2-ylphenyl)propan-1-ol
CID 177965961
(1R,2S)-2-amino-3-fluoro-1-(4-thiophen-3-ylphenyl)propan-1-ol
CID 177965988
2-amino-4-[5-[(E)-5-(4-fluorophenyl)pent-1-enyl]thiophen-2-yl]-2-methylbutan-1-ol
CID 9946248
1-(4-Fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol
CID 54952991
1-(2-Fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol
CID 54953040

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol?
The IUPAC name of 1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol (CID 65185328) is 1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol.
What is the SMILES notation for 1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol?
The canonical SMILES for 1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol is NCC(c1ccc(F)cc1)C(O)CCCc1cccs1.
What is the InChIKey of 1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol?
The InChIKey is FNSBJINDVBXQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c17-13-8-6-12(7-9-13)15(11-18)16(19)5-1-3-14-4-2-10-20-14/h2,4,6-10,15-16,19H,1,3,5,11,18H2.
What are the key properties of 1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol?
1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol has a molecular weight of 293.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol is sourced from PubChem (CID 65185328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).