2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane

C12H22F2N2O — CID 142389350

IUPAC2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane
SMILESCCC.Cc1ccc(OCC(F)(F)CN)cn1.[H][H]
InChIInChI=1S/C9H12F2N2O.C3H8.H2/c1-7-2-3-8(4-13-7)14-6-9(10,11)5-12;1-3-2;/h2-4H,5-6,12H2,1H3;3H2,1-2H3;1H
InChIKeyBENCQNQMIJGACU-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.03
Rot. Bonds4

About 2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane

2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane (PubChem CID 142389350) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is 2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane.

Molecular Properties

Compound Name2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane
PubChem CID142389350
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane
SMILESCCC.Cc1ccc(OCC(F)(F)CN)cn1.[H][H]
InChIInChI=1S/C9H12F2N2O.C3H8.H2/c1-7-2-3-8(4-13-7)14-6-9(10,11)5-12;1-3-2;/h2-4H,5-6,12H2,1H3;3H2,1-2H3;1H
InChIKeyBENCQNQMIJGACU-UHFFFAOYSA-N
XLogP3.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethoxy-2-methylpyridine
CID 573198
2-methyl-1-[(6-methyl-3-pyridinyl)oxy]propan-2-ol
CID 129451823
5-butoxy-2-methylpyridine
CID 13154052
O-(6-methyl-3-pyridinyl)hydroxylamine
CID 143778365
(6-methyl-3-pyridinyl) hypochlorite
CID 164916594
2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine
CID 112566160
potassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide
CID 63704180
1-[(6-methyl-3-pyridinyl)oxy]propan-2-amine
CID 102689433
2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 62584388
(Z)-3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride
CID 68772171
2-methyl-5-methylsulfanyloxypyridine
CID 142150711
[5-[(6-methyl-3-pyridinyl)oxymethyl]furan-2-yl]methanamine
CID 62442016

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane?
The IUPAC name of 2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane (CID 142389350) is 2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane.
What is the SMILES notation for 2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane?
The canonical SMILES for 2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane is CCC.Cc1ccc(OCC(F)(F)CN)cn1.[H][H].
What is the InChIKey of 2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane?
The InChIKey is BENCQNQMIJGACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O.C3H8.H2/c1-7-2-3-8(4-13-7)14-6-9(10,11)5-12;1-3-2;/h2-4H,5-6,12H2,1H3;3H2,1-2H3;1H.
What are the key properties of 2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane?
2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane has a molecular weight of 248.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(6-methyl-3-pyridinyl)oxy]propan-1-amine;molecular hydrogen;propane is sourced from PubChem (CID 142389350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).