4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine

C17H22F6N2O — CID 22175114

IUPAC4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(N)CC(C)(C)C1Oc1cc(C(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C17H22F6N2O/c1-14(2)7-10(24)8-15(3,4)13(14)26-12-6-9(16(18,19)20)5-11(25-12)17(21,22)23/h5-6,10,13H,7-8,24H2,1-4H3
InChIKeyCDXFPEMBLSZCOZ-UHFFFAOYSA-N
MW384.36 g/mol
LogP5.04
Rot. Bonds2

About 4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine

4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 22175114) has the molecular formula C17H22F6N2O and a molecular weight of 384.36 g/mol. Its IUPAC name is 4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID22175114
Molecular FormulaC17H22F6N2O
Molecular Weight384.36 g/mol
Exact Mass384.16
IUPAC Name4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(N)CC(C)(C)C1Oc1cc(C(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C17H22F6N2O/c1-14(2)7-10(24)8-15(3,4)13(14)26-12-6-9(16(18,19)20)5-11(25-12)17(21,22)23/h5-6,10,13H,7-8,24H2,1-4H3
InChIKeyCDXFPEMBLSZCOZ-UHFFFAOYSA-N
XLogP5.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of 4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine (CID 22175114) is 4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for 4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for 4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine is CC1(C)CC(N)CC(C)(C)C1Oc1cc(C(F)(F)F)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is CDXFPEMBLSZCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F6N2O/c1-14(2)7-10(24)8-15(3,4)13(14)26-12-6-9(16(18,19)20)5-11(25-12)17(21,22)23/h5-6,10,13H,7-8,24H2,1-4H3.
What are the key properties of 4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine?
4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 384.36 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 22175114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).