N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

C15H15F3N2 — CID 60703918

IUPACN-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccccc1C(C)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H15F3N2/c1-10-5-3-4-6-13(10)11(2)20-14-8-7-12(9-19-14)15(16,17)18/h3-9,11H,1-2H3,(H,19,20)
InChIKeyPURWYNQHCWNAPP-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.58
Rot. Bonds3

About N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 60703918) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID60703918
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC NameN-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccccc1C(C)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H15F3N2/c1-10-5-3-4-6-13(10)11(2)20-14-8-7-12(9-19-14)15(16,17)18/h3-9,11H,1-2H3,(H,19,20)
InChIKeyPURWYNQHCWNAPP-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 60703918) is N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is Cc1ccccc1C(C)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PURWYNQHCWNAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-10-5-3-4-6-13(10)11(2)20-14-8-7-12(9-19-14)15(16,17)18/h3-9,11H,1-2H3,(H,19,20).
What are the key properties of N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 280.29 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 60703918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).