5-fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol

C14H16FNOS — CID 55146110

IUPAC5-fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol
SMILESCC(NCCc1cccs1)c1ccc(F)cc1O
InChIInChI=1S/C14H16FNOS/c1-10(13-5-4-11(15)9-14(13)17)16-7-6-12-3-2-8-18-12/h2-5,8-10,16-17H,6-7H2,1H3
InChIKeyOHWFPAFTGVBNFA-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.49
Rot. Bonds5

About 5-fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol

5-fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol (PubChem CID 55146110) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol
PubChem CID55146110
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name5-fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol
SMILESCC(NCCc1cccs1)c1ccc(F)cc1O
InChIInChI=1S/C14H16FNOS/c1-10(13-5-4-11(15)9-14(13)17)16-7-6-12-3-2-8-18-12/h2-5,8-10,16-17H,6-7H2,1H3
InChIKeyOHWFPAFTGVBNFA-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.49
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

2-(2-Methyl-1,3-thiazolidin-2-yl)phenol
CID 204660
2-(2-Ethyl-1,3-thiazolidin-2-yl)phenol
CID 204662
4-[(Thiophen-2-ylmethylamino)methyl]phenol
CID 677150
2-[2-(4-Fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 15994032
4-Hydroxy-3-[1-(2-thiophen-2-ylethylamino)ethyl]benzonitrile
CID 44326349
2-{[2-(Thiophen-2-YL)azepan-1-YL]methyl}phenol
CID 46366607
3-{4H,5H,6H,7H-thieno[3,2-c]pyridin-4-yl}phenol
CID 165477685
4-Chloro-2-[[(3-methylthiophen-2-yl)methylamino]methyl]phenol
CID 25163888
4-Fluoro-2-{[(2-hydroxyethyl)(2-thienylmethyl)amino]methyl}phenol
CID 56708169
2-[(6,7-Dihydrothieno[3,2-c]pyridin-5(4H)-yl)methyl]-4-fluorophenol
CID 20396047
4-Fluoro-2-(1,3-thiazolidin-2-yl)phenol
CID 20568839
3-Fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol
CID 67782031

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol (CID 55146110) is 5-fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol is CC(NCCc1cccs1)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol?
The InChIKey is OHWFPAFTGVBNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-10(13-5-4-11(15)9-14(13)17)16-7-6-12-3-2-8-18-12/h2-5,8-10,16-17H,6-7H2,1H3.
What are the key properties of 5-fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol?
5-fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol has a molecular weight of 265.35 g/mol, XLogP of 3.49, 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-(2-thiophen-2-ylethylamino)ethyl]phenol is sourced from PubChem (CID 55146110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).