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

C17H24F3NO — CID 141080628

IUPAC3-propan-2-yloxy-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESCC(C)OC1CCCC(NCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H24F3NO/c1-12(2)22-16-8-4-7-15(10-16)21-11-13-5-3-6-14(9-13)17(18,19)20/h3,5-6,9,12,15-16,21H,4,7-8,10-11H2,1-2H3
InChIKeyPVEUESUMTKKKSF-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.53
Rot. Bonds5

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

3-propan-2-yloxy-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (PubChem CID 141080628) has the molecular formula C17H24F3NO and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
PubChem CID141080628
Molecular FormulaC17H24F3NO
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name3-propan-2-yloxy-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESCC(C)OC1CCCC(NCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H24F3NO/c1-12(2)22-16-8-4-7-15(10-16)21-11-13-5-3-6-14(9-13)17(18,19)20/h3,5-6,9,12,15-16,21H,4,7-8,10-11H2,1-2H3
InChIKeyPVEUESUMTKKKSF-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (CID 141080628) is 3-propan-2-yloxy-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine is CC(C)OC1CCCC(NCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-propan-2-yloxy-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is PVEUESUMTKKKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO/c1-12(2)22-16-8-4-7-15(10-16)21-11-13-5-3-6-14(9-13)17(18,19)20/h3,5-6,9,12,15-16,21H,4,7-8,10-11H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
3-propan-2-yloxy-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 315.38 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 141080628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).