2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

C15H22F3NO — CID 62571036

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1ccc(C(C)C)c(OC(C)CNCC(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-10(2)13-6-5-11(3)7-14(13)20-12(4)8-19-9-15(16,17)18/h5-7,10,12,19H,8-9H2,1-4H3
InChIKeyBIQGLOJIFMOZOX-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.04
Rot. Bonds6

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62571036) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62571036
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1ccc(C(C)C)c(OC(C)CNCC(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-10(2)13-6-5-11(3)7-14(13)20-12(4)8-19-9-15(16,17)18/h5-7,10,12,19H,8-9H2,1-4H3
InChIKeyBIQGLOJIFMOZOX-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-amine
CID 55088268
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78759978
N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine
CID 55092742
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63517705
2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79619901
3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
CID 57266754
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylphenoxy)butanoic acid
CID 63074112
N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine
CID 62452811
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 63496259
2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62572417
2-(4-bromophenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570732

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62571036) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is Cc1ccc(C(C)C)c(OC(C)CNCC(F)(F)F)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is BIQGLOJIFMOZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-10(2)13-6-5-11(3)7-14(13)20-12(4)8-19-9-15(16,17)18/h5-7,10,12,19H,8-9H2,1-4H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62571036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).