1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C14H20F3NO — CID 103207062

IUPAC1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCC(C)c1ccc(C(N)COCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-3-10(2)11-4-6-12(7-5-11)13(18)8-19-9-14(15,16)17/h4-7,10,13H,3,8-9,18H2,1-2H3
InChIKeyALVKFHMUXKIGCZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.78
Rot. Bonds6

About 1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207062) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207062
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCC(C)c1ccc(C(N)COCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-3-10(2)11-4-6-12(7-5-11)13(18)8-19-9-14(15,16)17/h4-7,10,13H,3,8-9,18H2,1-2H3
InChIKeyALVKFHMUXKIGCZ-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-butan-2-ylphenyl)-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-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785577
1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214758
1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492150
1-(4-butan-2-ylphenyl)-3,3-dimethylbutan-1-amine
CID 43103849
1-naphthalen-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16780890
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 107289462
1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine
CID 43097162
1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene
CID 20771640
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-(4-butan-2-ylphenyl)pentane-1,4-diamine
CID 116934302
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207070

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207062) is 1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCC(C)c1ccc(C(N)COCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ALVKFHMUXKIGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-3-10(2)11-4-6-12(7-5-11)13(18)8-19-9-14(15,16)17/h4-7,10,13H,3,8-9,18H2,1-2H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 275.31 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).