6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine

C10H13F3N2O — CID 115513408

IUPAC6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine
SMILESCOc1ccc(NCCCC(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O/c1-16-9-4-3-8(7-15-9)14-6-2-5-10(11,12)13/h3-4,7,14H,2,5-6H2,1H3
InChIKeyQYCKNWLSGOIIPE-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.84
Rot. Bonds5

About 6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine

6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine (PubChem CID 115513408) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine
PubChem CID115513408
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine
SMILESCOc1ccc(NCCCC(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O/c1-16-9-4-3-8(7-15-9)14-6-2-5-10(11,12)13/h3-4,7,14H,2,5-6H2,1H3
InChIKeyQYCKNWLSGOIIPE-UHFFFAOYSA-N
XLogP2.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine
CID 54962267
1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol
CID 63901251
N-(3,3-dimethylbutyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 62950387
6-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-3-amine
CID 23440804
6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine
CID 115515515
6-nitro-N-(4,4,4-trifluorobutyl)pyridin-3-amine
CID 79040122
6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine
CID 115517420
6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine
CID 79213880
N-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 177044147
6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine
CID 106722892
6-methoxy-N-(4-methoxy-4-methylpentan-2-yl)pyridin-3-amine
CID 43146958
(6-methoxy-3-pyridinyl)hydrazine;hydrochloride
CID 23090203

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine?
The IUPAC name of 6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine (CID 115513408) is 6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine is COc1ccc(NCCCC(F)(F)F)cn1.
What is the InChIKey of 6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine?
The InChIKey is QYCKNWLSGOIIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-16-9-4-3-8(7-15-9)14-6-2-5-10(11,12)13/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of 6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine?
6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine has a molecular weight of 234.22 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine is sourced from PubChem (CID 115513408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).