1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol

C16H19F2NOS — CID 80526374

IUPAC1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol
SMILESCC(C)(CNCC(O)c1c(F)cccc1F)c1cccs1
InChIInChI=1S/C16H19F2NOS/c1-16(2,14-7-4-8-21-14)10-19-9-13(20)15-11(17)5-3-6-12(15)18/h3-8,13,19-20H,9-10H2,1-2H3
InChIKeyKSYCHJBCUWEDGV-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.63
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol

1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol (PubChem CID 80526374) has the molecular formula C16H19F2NOS and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol
PubChem CID80526374
Molecular FormulaC16H19F2NOS
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol
SMILESCC(C)(CNCC(O)c1c(F)cccc1F)c1cccs1
InChIInChI=1S/C16H19F2NOS/c1-16(2,14-7-4-8-21-14)10-19-9-13(20)15-11(17)5-3-6-12(15)18/h3-8,13,19-20H,9-10H2,1-2H3
InChIKeyKSYCHJBCUWEDGV-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol
CID 80526598
4-[1-hydroxy-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile
CID 80526804
1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol
CID 80526691
2-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]butanoic acid
CID 115250143
3-amino-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoic acid
CID 115241897
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 114842503
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 111451534
1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol
CID 60898591
1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285685

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol (CID 80526374) is 1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol is CC(C)(CNCC(O)c1c(F)cccc1F)c1cccs1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol?
The InChIKey is KSYCHJBCUWEDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NOS/c1-16(2,14-7-4-8-21-14)10-19-9-13(20)15-11(17)5-3-6-12(15)18/h3-8,13,19-20H,9-10H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol?
1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol has a molecular weight of 311.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol is sourced from PubChem (CID 80526374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).