4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol

C14H16FNO2S — CID 56708169

IUPAC4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol
SMILESOCCN(Cc1cccs1)Cc1cc(F)ccc1O
InChIInChI=1S/C14H16FNO2S/c15-12-3-4-14(18)11(8-12)9-16(5-6-17)10-13-2-1-7-19-13/h1-4,7-8,17-18H,5-6,9-10H2
InChIKeyQOSWDUCNQLYNFO-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.59
Rot. Bonds6

About 4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol

4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol (PubChem CID 56708169) has the molecular formula C14H16FNO2S and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol
PubChem CID56708169
Molecular FormulaC14H16FNO2S
Molecular Weight281.35 g/mol
Exact Mass281.09
IUPAC Name4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol
SMILESOCCN(Cc1cccs1)Cc1cc(F)ccc1O
InChIInChI=1S/C14H16FNO2S/c15-12-3-4-14(18)11(8-12)9-16(5-6-17)10-13-2-1-7-19-13/h1-4,7-8,17-18H,5-6,9-10H2
InChIKeyQOSWDUCNQLYNFO-UHFFFAOYSA-N
XLogP2.59
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol (CID 56708169) is 4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol is OCCN(Cc1cccs1)Cc1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol?
The InChIKey is QOSWDUCNQLYNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2S/c15-12-3-4-14(18)11(8-12)9-16(5-6-17)10-13-2-1-7-19-13/h1-4,7-8,17-18H,5-6,9-10H2.
What are the key properties of 4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol?
4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol has a molecular weight of 281.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[2-hydroxyethyl(thiophen-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 56708169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).