1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol

C15H17F2NOS — CID 110897675

IUPAC1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol
SMILESCC(c1cccs1)N(C)CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2NOS/c1-10(15-4-3-7-20-15)18(2)9-14(19)11-5-6-12(16)13(17)8-11/h3-8,10,14,19H,9H2,1-2H3
InChIKeyHDKULURUEMDNCG-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.75
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol

1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol (PubChem CID 110897675) has the molecular formula C15H17F2NOS and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol
PubChem CID110897675
Molecular FormulaC15H17F2NOS
Molecular Weight297.37 g/mol
Exact Mass297.10
IUPAC Name1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol
SMILESCC(c1cccs1)N(C)CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2NOS/c1-10(15-4-3-7-20-15)18(2)9-14(19)11-5-6-12(16)13(17)8-11/h3-8,10,14,19H,9H2,1-2H3
InChIKeyHDKULURUEMDNCG-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217067
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 134026968
1-(3,4-difluorophenyl)-2-(1-thiophen-2-ylpropan-2-ylamino)ethanol
CID 63292341
1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
CID 110882281
2-[chloro-(3,4-difluorophenyl)methyl]thiophene
CID 61086178
N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43722970
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
3-[methyl(1-thiophen-2-ylethyl)amino]-2-phenylpropanoic acid
CID 63068999
2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217071
1-(3,4-difluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527395
(1S)-1-[2-fluoro-6-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 78940338

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol (CID 110897675) is 1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol is CC(c1cccs1)N(C)CC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol?
The InChIKey is HDKULURUEMDNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NOS/c1-10(15-4-3-7-20-15)18(2)9-14(19)11-5-6-12(16)13(17)8-11/h3-8,10,14,19H,9H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol?
1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol has a molecular weight of 297.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol is sourced from PubChem (CID 110897675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).