6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine

C10H13F3N2O2 — CID 54962267

IUPAC6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine
SMILESCOc1ccc(NCCOCC(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O2/c1-16-9-3-2-8(6-15-9)14-4-5-17-7-10(11,12)13/h2-3,6,14H,4-5,7H2,1H3
InChIKeyAKIHDBVXPREDKH-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.08
Rot. Bonds6

About 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine

6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine (PubChem CID 54962267) 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-3-amine.

Molecular Properties

Compound Name6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine
PubChem CID54962267
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine
SMILESCOc1ccc(NCCOCC(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O2/c1-16-9-3-2-8(6-15-9)14-4-5-17-7-10(11,12)13/h2-3,6,14H,4-5,7H2,1H3
InChIKeyAKIHDBVXPREDKH-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-(4,4,4-trifluorobutyl)pyridin-3-amine
CID 115513408
4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
CID 115355134
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492510
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492242
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 55259536
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54962007
5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 63827023
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554
1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol
CID 63901251
6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine
CID 79213880
N-(3,3-dimethylbutyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 62950387

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine?
The IUPAC name of 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine (CID 54962267) is 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine is COc1ccc(NCCOCC(F)(F)F)cn1.
What is the InChIKey of 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine?
The InChIKey is AKIHDBVXPREDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-16-9-3-2-8(6-15-9)14-4-5-17-7-10(11,12)13/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine?
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-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-3-amine is sourced from PubChem (CID 54962267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).