3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine

C14H23F2N3O — CID 103150032

IUPAC3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine
SMILESCCCNC(CCOCC(F)F)c1cc(C)cnc1N
InChIInChI=1S/C14H23F2N3O/c1-3-5-18-12(4-6-20-9-13(15)16)11-7-10(2)8-19-14(11)17/h7-8,12-13,18H,3-6,9H2,1-2H3,(H2,17,19)
InChIKeyUGWIUJCNQSBPCH-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.68
Rot. Bonds9

About 3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine

3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine (PubChem CID 103150032) has the molecular formula C14H23F2N3O and a molecular weight of 287.35 g/mol. Its IUPAC name is 3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine
PubChem CID103150032
Molecular FormulaC14H23F2N3O
Molecular Weight287.35 g/mol
Exact Mass287.18
IUPAC Name3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine
SMILESCCCNC(CCOCC(F)F)c1cc(C)cnc1N
InChIInChI=1S/C14H23F2N3O/c1-3-5-18-12(4-6-20-9-13(15)16)11-7-10(2)8-19-14(11)17/h7-8,12-13,18H,3-6,9H2,1-2H3,(H2,17,19)
InChIKeyUGWIUJCNQSBPCH-UHFFFAOYSA-N
XLogP2.68
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-hydrazinyl-2-propoxyethyl)-5-methylpyridin-2-amine
CID 105210168
5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine
CID 102928686
3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine
CID 103150047
1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103149984
3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine
CID 79495031
3-(1-hydrazinylbutyl)-5-methylpyridin-2-amine
CID 105202307
3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103149818
N-[2-(2,2-difluoroethoxy)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 82004844
5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine
CID 65092647
1-(5-bromo-4-methylthiophen-2-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207729
1-(5-chloro-4-methylthiophen-2-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207998
3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine
CID 65144255

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine (CID 103150032) is 3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine is CCCNC(CCOCC(F)F)c1cc(C)cnc1N.
What is the InChIKey of 3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine?
The InChIKey is UGWIUJCNQSBPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O/c1-3-5-18-12(4-6-20-9-13(15)16)11-7-10(2)8-19-14(11)17/h7-8,12-13,18H,3-6,9H2,1-2H3,(H2,17,19).
What are the key properties of 3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine?
3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine has a molecular weight of 287.35 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 103150032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).