1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol

C12H14F3NO — CID 154337986

IUPAC1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol
SMILESOC(c1ccccc1NC1CCC1)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11(17)9-6-1-2-7-10(9)16-8-4-3-5-8/h1-2,6-8,11,16-17H,3-5H2
InChIKeyZTFIJJIAFKGPNT-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.25
Rot. Bonds3

About 1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol

1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol (PubChem CID 154337986) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol
PubChem CID154337986
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol
SMILESOC(c1ccccc1NC1CCC1)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11(17)9-6-1-2-7-10(9)16-8-4-3-5-8/h1-2,6-8,11,16-17H,3-5H2
InChIKeyZTFIJJIAFKGPNT-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol 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

(1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939856
1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol
CID 65083215
2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447773
2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide
CID 97260269
N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 107447794
2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419203
1-[4-(cyclopentylamino)-2-methylsulfanylpyrimidin-5-yl]-2,2,2-trifluoroethanol
CID 11426779
cis-methyl (1R,3S)-3-(2-propan-2-ylanilino)cyclohexane-1-carboxylate
CID 167456642
tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate
CID 57248020
N-(2-propan-2-ylphenyl)piperidin-4-amine
CID 61016047
N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086909
1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine
CID 63734282

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol (CID 154337986) is 1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol is OC(c1ccccc1NC1CCC1)C(F)(F)F.
What is the InChIKey of 1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol?
The InChIKey is ZTFIJJIAFKGPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)11(17)9-6-1-2-7-10(9)16-8-4-3-5-8/h1-2,6-8,11,16-17H,3-5H2.
What are the key properties of 1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol?
1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol has a molecular weight of 245.24 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 154337986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).