6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine

C10H13F3N2O — CID 82788708

IUPAC6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine
SMILESCc1ccc(N)c(OCCCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c1-7-3-4-8(14)9(15-7)16-6-2-5-10(11,12)13/h3-4H,2,5-6,14H2,1H3
InChIKeyCRDMOTVDLJWBNA-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.69
Rot. Bonds4

About 6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine

6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine (PubChem CID 82788708) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine
PubChem CID82788708
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine
SMILESCc1ccc(N)c(OCCCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c1-7-3-4-8(14)9(15-7)16-6-2-5-10(11,12)13/h3-4H,2,5-6,14H2,1H3
InChIKeyCRDMOTVDLJWBNA-UHFFFAOYSA-N
XLogP2.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.69
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

2-[(3-amino-6-methyl-2-pyridinyl)oxy]ethanol
CID 81133074
N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide
CID 82788948
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine
CID 104560039
[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine
CID 113326257
2-[2-(3-methoxypropoxy)ethoxy]-6-methylpyridin-3-amine
CID 103176853
5-methyl-4-(4,4,4-trifluorobutoxy)pyrimidin-2-amine
CID 82793719
4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine
CID 82788520
5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794815
6-(2-methylpropoxy)-2-N-(4,4,4-trifluorobutyl)pyridine-2,5-diamine
CID 115515323
2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 115513270
5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794553
4-(4,4,4-trifluorobutoxy)benzene-1,2-diamine
CID 106748542

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine?
The IUPAC name of 6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine (CID 82788708) is 6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine.
What is the SMILES notation for 6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine?
The canonical SMILES for 6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine is Cc1ccc(N)c(OCCCC(F)(F)F)n1.
What is the InChIKey of 6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine?
The InChIKey is CRDMOTVDLJWBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7-3-4-8(14)9(15-7)16-6-2-5-10(11,12)13/h3-4H,2,5-6,14H2,1H3.
What are the key properties of 6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine?
6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine has a molecular weight of 234.22 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine is sourced from PubChem (CID 82788708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).