3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine

C13H20F2N2O — CID 103150047

IUPAC3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine
SMILESCCCNC(CCOCC(F)F)c1cccnc1
InChIInChI=1S/C13H20F2N2O/c1-2-6-17-12(5-8-18-10-13(14)15)11-4-3-7-16-9-11/h3-4,7,9,12-13,17H,2,5-6,8,10H2,1H3
InChIKeyINFFROTUICUXKW-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.79
Rot. Bonds9

About 3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine

3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine (PubChem CID 103150047) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine
PubChem CID103150047
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine
SMILESCCCNC(CCOCC(F)F)c1cccnc1
InChIInChI=1S/C13H20F2N2O/c1-2-6-17-12(5-8-18-10-13(14)15)11-4-3-7-16-9-11/h3-4,7,9,12-13,17H,2,5-6,8,10H2,1H3
InChIKeyINFFROTUICUXKW-UHFFFAOYSA-N
XLogP2.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.79
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

3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 103149460
3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103149818
1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103149984
N-ethyl-3-methoxy-1-pyridin-3-ylpropan-1-amine
CID 61412717
methyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235647
3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine
CID 103150032
ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235826
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118
N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine
CID 65141692
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849
2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine
CID 63716862
N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine
CID 104581333

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine (CID 103150047) is 3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine is CCCNC(CCOCC(F)F)c1cccnc1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine?
The InChIKey is INFFROTUICUXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-2-6-17-12(5-8-18-10-13(14)15)11-4-3-7-16-9-11/h3-4,7,9,12-13,17H,2,5-6,8,10H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine?
3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine has a molecular weight of 258.31 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 103150047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).