3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine

C16H23F3N2O — CID 141060087

IUPAC3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
SMILESCC(C)OC1CCCC(NCc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H23F3N2O/c1-11(2)22-14-7-3-5-12(9-14)20-10-13-6-4-8-15(21-13)16(17,18)19/h4,6,8,11-12,14,20H,3,5,7,9-10H2,1-2H3
InChIKeyLPYHQLDDUAUSHJ-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.93
Rot. Bonds5

About 3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine

3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine (PubChem CID 141060087) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
PubChem CID141060087
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
SMILESCC(C)OC1CCCC(NCc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H23F3N2O/c1-11(2)22-14-7-3-5-12(9-14)20-10-13-6-4-8-15(21-13)16(17,18)19/h4,6,8,11-12,14,20H,3,5,7,9-10H2,1-2H3
InChIKeyLPYHQLDDUAUSHJ-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine (CID 141060087) is 3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine is CC(C)OC1CCCC(NCc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The InChIKey is LPYHQLDDUAUSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-11(2)22-14-7-3-5-12(9-14)20-10-13-6-4-8-15(21-13)16(17,18)19/h4,6,8,11-12,14,20H,3,5,7,9-10H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine has a molecular weight of 316.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 141060087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).