1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

C16H22F3NO — CID 103216454

IUPAC1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1ccccc1C1CCC1
InChIInChI=1S/C16H22F3NO/c1-2-20-15(10-21-11-16(17,18)19)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-9,12,15,20H,2,5-7,10-11H2,1H3
InChIKeyZGCAHAUBTPMZKK-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.18
Rot. Bonds7

About 1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216454) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216454
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1ccccc1C1CCC1
InChIInChI=1S/C16H22F3NO/c1-2-20-15(10-21-11-16(17,18)19)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-9,12,15,20H,2,5-7,10-11H2,1H3
InChIKeyZGCAHAUBTPMZKK-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-cyclobutylphenyl)-N-ethyl-2-(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-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151448
1-(2-cyclobutylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559941
2-(2-cyclopropylphenyl)-2-(ethylamino)ethanol
CID 79983481
N-ethyl-2-(2,2,2-trifluoroethoxy)-1-(2,3,4-trifluorophenyl)ethanamine
CID 103215253
2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 166717657
1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207295
N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604144
1-(2-cyclobutylphenyl)-N-methyl-2-phenoxyethanamine
CID 114602891
N-[(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 114604084
1-(2-bromo-4-methoxyphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207435
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207286
N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216454) is 1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ZGCAHAUBTPMZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-2-20-15(10-21-11-16(17,18)19)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-9,12,15,20H,2,5-7,10-11H2,1H3.
What are the key properties of 1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 301.35 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).