1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol

C14H16FNOS — CID 114059096

IUPAC1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
SMILESCC(O)c1cccc(F)c1N(C)Cc1cccs1
InChIInChI=1S/C14H16FNOS/c1-10(17)12-6-3-7-13(15)14(12)16(2)9-11-5-4-8-18-11/h3-8,10,17H,9H2,1-2H3
InChIKeyGSYRCJBIQRZSKM-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.58
Rot. Bonds4

About 1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol

1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol (PubChem CID 114059096) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
PubChem CID114059096
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
SMILESCC(O)c1cccc(F)c1N(C)Cc1cccs1
InChIInChI=1S/C14H16FNOS/c1-10(17)12-6-3-7-13(15)14(12)16(2)9-11-5-4-8-18-11/h3-8,10,17H,9H2,1-2H3
InChIKeyGSYRCJBIQRZSKM-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78939689
1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol
CID 114059089
2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
CID 114059093
(1S)-1-[2-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 79486328
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 115997187
1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 61436988
1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486832
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
1-(2-fluorophenyl)-2-thiophen-2-ylethanol
CID 62501519
1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol
CID 79490115
(1S)-1-[3-bromo-4-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78939692
1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 115800366

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol (CID 114059096) is 1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol is CC(O)c1cccc(F)c1N(C)Cc1cccs1.
What is the InChIKey of 1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
The InChIKey is GSYRCJBIQRZSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-10(17)12-6-3-7-13(15)14(12)16(2)9-11-5-4-8-18-11/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol has a molecular weight of 265.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol is sourced from PubChem (CID 114059096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).