N-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine

C13H17F3N2O — CID 102634719

IUPACN-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ncccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-17-10-6-2-3-7-11(10)19-12-9(13(14,15)16)5-4-8-18-12/h4-5,8,10-11,17H,2-3,6-7H2,1H3
InChIKeyVROWUBSXWCZICS-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.01
Rot. Bonds3

About N-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine

N-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine (PubChem CID 102634719) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine
PubChem CID102634719
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ncccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-17-10-6-2-3-7-11(10)19-12-9(13(14,15)16)5-4-8-18-12/h4-5,8,10-11,17H,2-3,6-7H2,1H3
InChIKeyVROWUBSXWCZICS-UHFFFAOYSA-N
XLogP3.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-thieno[3,2-c]pyridin-4-yloxycyclohexan-1-amine
CID 102634334
N-methyl-2-quinolin-7-yloxycycloheptan-1-amine
CID 107313438
N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
CID 102634395
cyclopentyl-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250770
N-methyl-2-(1-methylimidazol-2-yl)oxycyclohexan-1-amine
CID 102634501
2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine
CID 107304027
N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine
CID 114179338
N-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
CID 102633086
O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine
CID 75176185
methyl 2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]cycloheptane-1-carboxylate
CID 75440536
2-[(6-methoxy-2-pyridinyl)oxy]-N-methylcyclohexan-1-amine
CID 102634392
(3S)-N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 100700324

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine?
The IUPAC name of N-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine (CID 102634719) is N-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine is CNC1CCCCC1Oc1ncccc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine?
The InChIKey is VROWUBSXWCZICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-17-10-6-2-3-7-11(10)19-12-9(13(14,15)16)5-4-8-18-12/h4-5,8,10-11,17H,2-3,6-7H2,1H3.
What are the key properties of N-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine?
N-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine has a molecular weight of 274.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexan-1-amine is sourced from PubChem (CID 102634719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).