N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine

C16H23F3N2 — CID 105146207

IUPACN-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-3-20-15(12-9-8-11(2)21-10-12)13-6-4-5-7-14(13)16(17,18)19/h8-10,13-15,20H,3-7H2,1-2H3
InChIKeyQPDRTSIIFOQPCW-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.41
Rot. Bonds4

About N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine

N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine (PubChem CID 105146207) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
PubChem CID105146207
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-3-20-15(12-9-8-11(2)21-10-12)13-6-4-5-7-14(13)16(17,18)19/h8-10,13-15,20H,3-7H2,1-2H3
InChIKeyQPDRTSIIFOQPCW-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

N-[(2-methyloxolan-3-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854932
N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 65415133
N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105149558
N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105098515
N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 107004419
N-[(6-methyl-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115854998
2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 115854866
N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105189747
N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105084116
N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 106657478
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 64984458
N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115388066

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine (CID 105146207) is N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine is CCNC(c1ccc(C)nc1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is QPDRTSIIFOQPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-3-20-15(12-9-8-11(2)21-10-12)13-6-4-5-7-14(13)16(17,18)19/h8-10,13-15,20H,3-7H2,1-2H3.
What are the key properties of N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 300.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 105146207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).