2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine

C11H14F4N2O — CID 103529375

IUPAC2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCOc1cc(C)nc(CNCC(F)(F)C(F)F)c1
InChIInChI=1S/C11H14F4N2O/c1-7-3-9(18-2)4-8(17-7)5-16-6-11(14,15)10(12)13/h3-4,10,16H,5-6H2,1-2H3
InChIKeyGDBFJMNXXVDBIP-UHFFFAOYSA-N
MW266.24 g/mol
LogP2.39
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine

2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 103529375) has the molecular formula C11H14F4N2O and a molecular weight of 266.24 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID103529375
Molecular FormulaC11H14F4N2O
Molecular Weight266.24 g/mol
Exact Mass266.10
IUPAC Name2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCOc1cc(C)nc(CNCC(F)(F)C(F)F)c1
InChIInChI=1S/C11H14F4N2O/c1-7-3-9(18-2)4-8(17-7)5-16-6-11(14,15)10(12)13/h3-4,10,16H,5-6H2,1-2H3
InChIKeyGDBFJMNXXVDBIP-UHFFFAOYSA-N
XLogP2.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine with MolForge

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Related Compounds

[(6-Methoxypyridin-2-yl)methyl](methyl)amine
CID 58863294
3-Fluoro-4-methoxy-2-pyridinemethanamine
CID 84070696
(4-Methoxypyridin-2-yl)methanamine
CID 22292761
2,2-Difluoro-2-(6-methoxypyridin-2-yl)ethan-1-amine
CID 112756663
4-Methoxypyridine-2-carbothioamide
CID 62926631
4-Methoxy-2,6-dimethylpyridin-3-amine
CID 84071269
4-Methoxy-6-(trifluoromethyl)pyridin-3-amine
CID 86775377
4-(Difluoromethoxy)-2,6-dimethylpyridine
CID 46311624
[4-(2-Methoxyethoxy)pyridin-2-yl]methanamine
CID 62292533
(4-Methoxypyridin-2-yl)methanamine dihydrochloride
CID 71699979
[4-(2,2-Difluoroethoxy)pyridin-2-yl]methanamine
CID 71758289
2,2,2-Trifluoro-1-(6-methoxypyridin-2-yl)ethanamine
CID 72211915

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine (CID 103529375) is 2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine is COc1cc(C)nc(CNCC(F)(F)C(F)F)c1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is GDBFJMNXXVDBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2O/c1-7-3-9(18-2)4-8(17-7)5-16-6-11(14,15)10(12)13/h3-4,10,16H,5-6H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine?
2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 266.24 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 103529375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).