N-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C15H15F3N2O — CID 126470346

IUPACN-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCOCCNc1ccc(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C15H15F3N2O/c1-21-9-8-19-14-7-4-12(10-20-14)11-2-5-13(6-3-11)15(16,17)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeySQNQGZYWUZTVGP-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.83
Rot. Bonds5

About N-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine

N-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 126470346) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID126470346
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCOCCNc1ccc(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C15H15F3N2O/c1-21-9-8-19-14-7-4-12(10-20-14)11-2-5-13(6-3-11)15(16,17)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeySQNQGZYWUZTVGP-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 126470346) is N-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine is COCCNc1ccc(-c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is SQNQGZYWUZTVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-21-9-8-19-14-7-4-12(10-20-14)11-2-5-13(6-3-11)15(16,17)18/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of N-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
N-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 296.29 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 126470346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).