N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

C15H21F3N2 — CID 105180006

IUPACN-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCNC(Cc1cccnc1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2/c1-19-14(8-11-4-3-7-20-10-11)12-5-2-6-13(9-12)15(16,17)18/h3-4,7,10,12-14,19H,2,5-6,8-9H2,1H3
InChIKeySHGUDECOGZGWBY-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.58
Rot. Bonds4

About N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105180006) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105180006
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCNC(Cc1cccnc1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2/c1-19-14(8-11-4-3-7-20-10-11)12-5-2-6-13(9-12)15(16,17)18/h3-4,7,10,12-14,19H,2,5-6,8-9H2,1H3
InChIKeySHGUDECOGZGWBY-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylcyclopentyl)-2-pyridin-3-ylethanamine
CID 107190771
[2-pyridin-3-yl-1-[2-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
CID 105333794
1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105176320
N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine
CID 104736655
3-[2,2-di(cyclobutyl)ethyl]pyridine
CID 57256962
N-methyl-3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103029967
1-cyclohexyl-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62603236
2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 115984863
3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine
CID 115985083
1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
[2-(4-fluorophenyl)-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
CID 105283791
N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105177137

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (CID 105180006) is N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is CNC(Cc1cccnc1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is SHGUDECOGZGWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-19-14(8-11-4-3-7-20-10-11)12-5-2-6-13(9-12)15(16,17)18/h3-4,7,10,12-14,19H,2,5-6,8-9H2,1H3.
What are the key properties of N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 286.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105180006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).