5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol

C15H18FNOS — CID 63067487

IUPAC5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
SMILESCC(Cc1ccsc1)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C15H18FNOS/c1-10(7-12-5-6-19-9-12)17-11(2)14-4-3-13(16)8-15(14)18/h3-6,8-11,17-18H,7H2,1-2H3
InChIKeyKZHFJCYPMUHVDP-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.87
Rot. Bonds5

About 5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol

5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol (PubChem CID 63067487) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
PubChem CID63067487
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
SMILESCC(Cc1ccsc1)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C15H18FNOS/c1-10(7-12-5-6-19-9-12)17-11(2)14-4-3-13(16)8-15(14)18/h3-6,8-11,17-18H,7H2,1-2H3
InChIKeyKZHFJCYPMUHVDP-UHFFFAOYSA-N
XLogP3.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 61473528
N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61472940
5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol
CID 66352112
5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol
CID 63066523
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54953076
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 63066533
5-fluoro-2-[1-(pent-4-yn-2-ylamino)ethyl]phenol
CID 104582819
1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine
CID 61473211
5-fluoro-2-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]phenol
CID 104584218
2-[1-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]benzene-1,4-diol
CID 63010168

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol (CID 63067487) is 5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol is CC(Cc1ccsc1)NC(C)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol?
The InChIKey is KZHFJCYPMUHVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-10(7-12-5-6-19-9-12)17-11(2)14-4-3-13(16)8-15(14)18/h3-6,8-11,17-18H,7H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol?
5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol has a molecular weight of 279.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 63067487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).