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

C14H21F3N2O2 — CID 102719726

IUPAC6-(2-propan-2-yloxyethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(OCCOC(C)C)n1
InChIInChI=1S/C14H21F3N2O2/c1-4-5-18-12-8-11(14(15,16)17)9-13(19-12)21-7-6-20-10(2)3/h8-10H,4-7H2,1-3H3,(H,18,19)
InChIKeyOFSIQPIRXFISDE-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.73
Rot. Bonds8

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

6-(2-propan-2-yloxyethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719726) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-(2-propan-2-yloxyethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2-propan-2-yloxyethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719726
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name6-(2-propan-2-yloxyethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(OCCOC(C)C)n1
InChIInChI=1S/C14H21F3N2O2/c1-4-5-18-12-8-11(14(15,16)17)9-13(19-12)21-7-6-20-10(2)3/h8-10H,4-7H2,1-3H3,(H,18,19)
InChIKeyOFSIQPIRXFISDE-UHFFFAOYSA-N
XLogP3.73
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.73
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 6-(2-propan-2-yloxyethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(2-propan-2-yloxyethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine (CID 102719726) is 6-(2-propan-2-yloxyethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(2-propan-2-yloxyethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(2-propan-2-yloxyethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine is CCCNc1cc(C(F)(F)F)cc(OCCOC(C)C)n1.
What is the InChIKey of 6-(2-propan-2-yloxyethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OFSIQPIRXFISDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-4-5-18-12-8-11(14(15,16)17)9-13(19-12)21-7-6-20-10(2)3/h8-10H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 6-(2-propan-2-yloxyethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
6-(2-propan-2-yloxyethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 306.33 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-yloxyethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).