5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine

C13H19F3N2O — CID 82893914

IUPAC5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine
SMILESCOc1cc(C)nc(CNCCCCC(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-10-7-12(19-2)8-11(18-10)9-17-6-4-3-5-13(14,15)16/h7-8,17H,3-6,9H2,1-2H3
InChIKeyQSMWBFJSBPCYTI-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.22
Rot. Bonds7

About 5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine

5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine (PubChem CID 82893914) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine
PubChem CID82893914
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine
SMILESCOc1cc(C)nc(CNCCCCC(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-10-7-12(19-2)8-11(18-10)9-17-6-4-3-5-13(14,15)16/h7-8,17H,3-6,9H2,1-2H3
InChIKeyQSMWBFJSBPCYTI-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine with MolForge

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Related Compounds

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]decan-1-amine
CID 82887891
2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 103529375
ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate
CID 82893296
(E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine
CID 115924151
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
CID 82893583
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
1-(4-methoxy-6-methyl-2-pyridinyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 82893756
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]acetic acid
CID 82893407
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158904
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine
CID 82893056
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 82887683

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine (CID 82893914) is 5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine is COc1cc(C)nc(CNCCCCC(F)(F)F)c1.
What is the InChIKey of 5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine?
The InChIKey is QSMWBFJSBPCYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-10-7-12(19-2)8-11(18-10)9-17-6-4-3-5-13(14,15)16/h7-8,17H,3-6,9H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine?
5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine has a molecular weight of 276.30 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine is sourced from PubChem (CID 82893914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).