1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

C15H22F3NO — CID 66275431

IUPAC1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(C)Cc1ccc(C(N)COC(C)C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-10(2)8-12-4-6-13(7-5-12)14(19)9-20-11(3)15(16,17)18/h4-7,10-11,14H,8-9,19H2,1-3H3
InChIKeyCMKODXNOCNUUHC-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.85
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 66275431) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID66275431
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(C)Cc1ccc(C(N)COC(C)C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-10(2)8-12-4-6-13(7-5-12)14(19)9-20-11(3)15(16,17)18/h4-7,10-11,14H,8-9,19H2,1-3H3
InChIKeyCMKODXNOCNUUHC-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275444
1-phenyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275435
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 103487574
1-naphthalen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275229
1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207070
1-[4-(2-methylpropyl)phenyl]-2-phenoxyethanamine
CID 43095754
2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 103283433
N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 43272065
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107523851

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 66275431) is 1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CC(C)Cc1ccc(C(N)COC(C)C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is CMKODXNOCNUUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-10(2)8-12-4-6-13(7-5-12)14(19)9-20-11(3)15(16,17)18/h4-7,10-11,14H,8-9,19H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 289.34 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 66275431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).