1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine

C14H21F2NO2 — CID 107523950

IUPAC1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
SMILESCC(C)(C)OCCOCC(N)c1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO2/c1-14(2,3)19-7-6-18-9-13(17)11-8-10(15)4-5-12(11)16/h4-5,8,13H,6-7,9,17H2,1-3H3
InChIKeyAGHXJLLTUVIBND-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.80
Rot. Bonds6

About 1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine

1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine (PubChem CID 107523950) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
PubChem CID107523950
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
SMILESCC(C)(C)OCCOCC(N)c1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO2/c1-14(2,3)19-7-6-18-9-13(17)11-8-10(15)4-5-12(11)16/h4-5,8,13H,6-7,9,17H2,1-3H3
InChIKeyAGHXJLLTUVIBND-UHFFFAOYSA-N
XLogP2.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine
CID 116933552
1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine
CID 116934749
1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 107523679
1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 115941946
1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine
CID 62789887
1-(2,5-difluorophenyl)-2-(2-methylphenoxy)ethanamine
CID 16789582
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587392
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine
CID 107657092
2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine
CID 107523541
(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171204248
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine (CID 107523950) is 1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine is CC(C)(C)OCCOCC(N)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The InChIKey is AGHXJLLTUVIBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-14(2,3)19-7-6-18-9-13(17)11-8-10(15)4-5-12(11)16/h4-5,8,13H,6-7,9,17H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine has a molecular weight of 273.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine is sourced from PubChem (CID 107523950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).