6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine

C10H13F3N2O2 — CID 55259536

IUPAC6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
SMILESCOc1cccc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2/c1-16-9-4-2-3-8(15-9)14-5-6-17-7-10(11,12)13/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyNOJLFFZCNMYDMT-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.08
Rot. Bonds6

About 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine

6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine (PubChem CID 55259536) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
PubChem CID55259536
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
SMILESCOc1cccc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2/c1-16-9-4-2-3-8(15-9)14-5-6-17-7-10(11,12)13/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyNOJLFFZCNMYDMT-UHFFFAOYSA-N
XLogP2.08
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762395
4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
CID 115355134
2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307016
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine
CID 54962267
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492242
6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 63965022
2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine
CID 154265042
6-methoxy-N-(3-methylsulfanylpropyl)pyridin-2-amine
CID 63965720
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine
CID 63828976
6-[(6-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848852
3-[(6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 63590933
6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine
CID 101398050

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
The IUPAC name of 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine (CID 55259536) is 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
The canonical SMILES for 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine is COc1cccc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
The InChIKey is NOJLFFZCNMYDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-16-9-4-2-3-8(15-9)14-5-6-17-7-10(11,12)13/h2-4H,5-7H2,1H3,(H,14,15).
What are the key properties of 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine has a molecular weight of 250.22 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine is sourced from PubChem (CID 55259536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).