2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol

C14H21F2NO2 — CID 61171635

IUPAC2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol
SMILESCCCCOCCNCC(O)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO2/c1-2-3-8-19-9-7-17-10-13(18)14-11(15)5-4-6-12(14)16/h4-6,13,17-18H,2-3,7-10H2,1H3
InChIKeyOYGNKIJIMNEMBC-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.40
Rot. Bonds9

About 2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol

2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol (PubChem CID 61171635) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol
PubChem CID61171635
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol
SMILESCCCCOCCNCC(O)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO2/c1-2-3-8-19-9-7-17-10-13(18)14-11(15)5-4-6-12(14)16/h4-6,13,17-18H,2-3,7-10H2,1H3
InChIKeyOYGNKIJIMNEMBC-UHFFFAOYSA-N
XLogP2.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 61171276
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
ethyl 4-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]butanoate
CID 64578937
1-butyl-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450361
1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol
CID 60898591
1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol
CID 115578408
1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285685
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol
CID 82722763
1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol
CID 115609626

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol (CID 61171635) is 2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol is CCCCOCCNCC(O)c1c(F)cccc1F.
What is the InChIKey of 2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol?
The InChIKey is OYGNKIJIMNEMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-2-3-8-19-9-7-17-10-13(18)14-11(15)5-4-6-12(14)16/h4-6,13,17-18H,2-3,7-10H2,1H3.
What are the key properties of 2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol?
2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol has a molecular weight of 273.32 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 61171635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).