1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine

C10H13F3N2 — CID 66446543

IUPAC1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine
SMILESCNC(Cc1ccc(C)cn1)C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-7-3-4-8(15-6-7)5-9(14-2)10(11,12)13/h3-4,6,9,14H,5H2,1-2H3
InChIKeyWSHMPENIKHQYPC-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.08
Rot. Bonds3

About 1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine

1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine (PubChem CID 66446543) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine
PubChem CID66446543
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine
SMILESCNC(Cc1ccc(C)cn1)C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-7-3-4-8(15-6-7)5-9(14-2)10(11,12)13/h3-4,6,9,14H,5H2,1-2H3
InChIKeyWSHMPENIKHQYPC-UHFFFAOYSA-N
XLogP2.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105036466
N-methyl-1-(5-methyl-2-pyridinyl)butan-2-amine
CID 63201914
1-(2,6-difluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446542
3-(2,5-dimethylphenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115802743
3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol
CID 66459924
1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol
CID 83442584
1-(2,3-difluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447887
5-methyl-2-[(2S)-2-methylbutyl]pyridine
CID 118944951
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862
1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 107955465
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447132
1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107064626

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine (CID 66446543) is 1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine is CNC(Cc1ccc(C)cn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine?
The InChIKey is WSHMPENIKHQYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-7-3-4-8(15-6-7)5-9(14-2)10(11,12)13/h3-4,6,9,14H,5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine?
1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine has a molecular weight of 218.22 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 66446543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).