3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine

C13H19F2NO2 — CID 79495766

IUPAC3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine
SMILESCCOC(OCC)C(N)Cc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO2/c1-3-17-13(18-4-2)12(16)8-9-7-10(14)5-6-11(9)15/h5-7,12-13H,3-4,8,16H2,1-2H3
InChIKeyXJEJDVSLGIUYQD-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.23
Rot. Bonds7

About 3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine

3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine (PubChem CID 79495766) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine
PubChem CID79495766
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine
SMILESCCOC(OCC)C(N)Cc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO2/c1-3-17-13(18-4-2)12(16)8-9-7-10(14)5-6-11(9)15/h5-7,12-13H,3-4,8,16H2,1-2H3
InChIKeyXJEJDVSLGIUYQD-UHFFFAOYSA-N
XLogP2.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-5-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 102619111
3-(2-bromo-4-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 79496447
[1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105270973
3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine
CID 105374355
ethyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 59009740
[1-(2,5-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271314
1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine
CID 116716823
1-(2,5-difluorophenyl)pentan-2-ylhydrazine
CID 105202060
3-(4-chlorophenyl)-1,1-diethoxypropan-2-amine
CID 79496455
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine?
The IUPAC name of 3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine (CID 79495766) is 3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine is CCOC(OCC)C(N)Cc1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine?
The InChIKey is XJEJDVSLGIUYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-3-17-13(18-4-2)12(16)8-9-7-10(14)5-6-11(9)15/h5-7,12-13H,3-4,8,16H2,1-2H3.
What are the key properties of 3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine?
3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine has a molecular weight of 259.30 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine is sourced from PubChem (CID 79495766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).