1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

C14H20F3NO — CID 82711120

IUPAC1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H20F3NO/c1-10(18-19-9-14(15,16)17)11-5-7-12(8-6-11)13(2,3)4/h5-8,10,18H,9H2,1-4H3
InChIKeyPYSVPJAHSKBVJS-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.13
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82711120) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82711120
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H20F3NO/c1-10(18-19-9-14(15,16)17)11-5-7-12(8-6-11)13(2,3)4/h5-8,10,18H,9H2,1-4H3
InChIKeyPYSVPJAHSKBVJS-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)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-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710680
N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 82710637
1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63827300
1-(1,3-benzodioxol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82711448
1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712392
N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline
CID 10379104
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492242
5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
CID 82711475
1-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712048
1-(4-tert-butylphenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106426895
3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414849
N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191865

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82711120) is 1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine is CC(NOCC(F)(F)F)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is PYSVPJAHSKBVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-10(18-19-9-14(15,16)17)11-5-7-12(8-6-11)13(2,3)4/h5-8,10,18H,9H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 275.31 g/mol, XLogP of 4.13, 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)-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82711120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).