2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine

C12H17F3N2 — CID 155163777

IUPAC2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2/c1-11(2,3)17-7-5-9-4-6-16-10(8-9)12(13,14)15/h4,6,8,17H,5,7H2,1-3H3
InChIKeyFTLIWEHSEHVVDW-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.03
Rot. Bonds3

About 2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine

2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine (PubChem CID 155163777) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine
PubChem CID155163777
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2/c1-11(2,3)17-7-5-9-4-6-16-10(8-9)12(13,14)15/h4,6,8,17H,5,7H2,1-3H3
InChIKeyFTLIWEHSEHVVDW-UHFFFAOYSA-N
XLogP3.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine (CID 155163777) is 2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine is CC(C)(C)NCCc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine?
The InChIKey is FTLIWEHSEHVVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-11(2,3)17-7-5-9-4-6-16-10(8-9)12(13,14)15/h4,6,8,17H,5,7H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine?
2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine has a molecular weight of 246.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine is sourced from PubChem (CID 155163777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).