1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C15H15F3N2 — CID 63841377

IUPAC1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccnc(C(N)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H15F3N2/c1-10-6-7-20-14(8-10)13(19)9-11-2-4-12(5-3-11)15(16,17)18/h2-8,13H,9,19H2,1H3
InChIKeyNZDRFMRGHMQUNJ-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.65
Rot. Bonds3

About 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 63841377) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID63841377
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccnc(C(N)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H15F3N2/c1-10-6-7-20-14(8-10)13(19)9-11-2-4-12(5-3-11)15(16,17)18/h2-8,13H,9,19H2,1H3
InChIKeyNZDRFMRGHMQUNJ-UHFFFAOYSA-N
XLogP3.65
TPSA38.91 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 63841377) is 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine is Cc1ccnc(C(N)Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is NZDRFMRGHMQUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-10-6-7-20-14(8-10)13(19)9-11-2-4-12(5-3-11)15(16,17)18/h2-8,13H,9,19H2,1H3.
What are the key properties of 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 280.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 63841377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).