3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine

C13H20F2N2O2 — CID 103148933

IUPAC3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
SMILESCC(C)Oc1cncc(C(N)CCOCC(F)F)c1
InChIInChI=1S/C13H20F2N2O2/c1-9(2)19-11-5-10(6-17-7-11)12(16)3-4-18-8-13(14)15/h5-7,9,12-13H,3-4,8,16H2,1-2H3
InChIKeyVNXDFFFODVUWEC-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.54
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine

3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine (PubChem CID 103148933) has the molecular formula C13H20F2N2O2 and a molecular weight of 274.31 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
PubChem CID103148933
Molecular FormulaC13H20F2N2O2
Molecular Weight274.31 g/mol
Exact Mass274.15
IUPAC Name3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
SMILESCC(C)Oc1cncc(C(N)CCOCC(F)F)c1
InChIInChI=1S/C13H20F2N2O2/c1-9(2)19-11-5-10(6-17-7-11)12(16)3-4-18-8-13(14)15/h5-7,9,12-13H,3-4,8,16H2,1-2H3
InChIKeyVNXDFFFODVUWEC-UHFFFAOYSA-N
XLogP2.54
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103148997
3-cyclopentyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 105027507
1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105176210
2-methoxy-1-(5-propan-2-yloxy-3-pyridinyl)pentan-1-amine
CID 116718601
[3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine
CID 103151840
[3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine
CID 103151752
3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 105176221
1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474001
3-(2,2-difluoroethoxy)-N-methyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103149327
3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103148805
2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine
CID 116725313
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine (CID 103148933) is 3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine is CC(C)Oc1cncc(C(N)CCOCC(F)F)c1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine?
The InChIKey is VNXDFFFODVUWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2/c1-9(2)19-11-5-10(6-17-7-11)12(16)3-4-18-8-13(14)15/h5-7,9,12-13H,3-4,8,16H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine has a molecular weight of 274.31 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 103148933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).