N-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine

C12H17F3N2O2 — CID 102719724

IUPACN-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(OCCOC(C)C)n1
InChIInChI=1S/C12H17F3N2O2/c1-8(2)18-4-5-19-11-7-9(12(13,14)15)6-10(16-3)17-11/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyRQHCXNLUKOCKHA-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.95
Rot. Bonds6

About N-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine

N-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719724) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719724
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC NameN-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(OCCOC(C)C)n1
InChIInChI=1S/C12H17F3N2O2/c1-8(2)18-4-5-19-11-7-9(12(13,14)15)6-10(16-3)17-11/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyRQHCXNLUKOCKHA-UHFFFAOYSA-N
XLogP2.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102719724) is N-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine is CNc1cc(C(F)(F)F)cc(OCCOC(C)C)n1.
What is the InChIKey of N-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RQHCXNLUKOCKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-8(2)18-4-5-19-11-7-9(12(13,14)15)6-10(16-3)17-11/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of N-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine?
N-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 278.27 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).