1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

C15H22F3NO — CID 66275444

IUPAC1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OCC(N)c1ccc(C(C)(C)C)cc1)C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-10(15(16,17)18)20-9-13(19)11-5-7-12(8-6-11)14(2,3)4/h5-8,10,13H,9,19H2,1-4H3
InChIKeyCYKHHRNWEMXXTA-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.95
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 66275444) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID66275444
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OCC(N)c1ccc(C(C)(C)C)cc1)C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-10(15(16,17)18)20-9-13(19)11-5-7-12(8-6-11)14(2,3)4/h5-8,10,13H,9,19H2,1-4H3
InChIKeyCYKHHRNWEMXXTA-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275435
1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275431
1-naphthalen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275229
2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107523851
1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43093766
1-(4-tert-butylphenyl)-3-methylpentan-1-amine
CID 114874175
1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43106889
2-[2-amino-2-(4-tert-butylphenyl)ethoxy]acetamide
CID 61329935
2-propan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43184569
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024260
1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309519

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 66275444) is 1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CC(OCC(N)c1ccc(C(C)(C)C)cc1)C(F)(F)F.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is CYKHHRNWEMXXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-10(15(16,17)18)20-9-13(19)11-5-7-12(8-6-11)14(2,3)4/h5-8,10,13H,9,19H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 289.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 66275444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).