4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol

C15H19F4NO — CID 19823816

IUPAC4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
SMILESCC(O)(CC(N)C1(c2ccc(F)cc2)CCC1)C(F)(F)F
InChIInChI=1S/C15H19F4NO/c1-13(21,15(17,18)19)9-12(20)14(7-2-8-14)10-3-5-11(16)6-4-10/h3-6,12,21H,2,7-9,20H2,1H3
InChIKeyALRNARHPPXHSRG-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.28
Rot. Bonds4

About 4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol

4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol (PubChem CID 19823816) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
PubChem CID19823816
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC Name4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
SMILESCC(O)(CC(N)C1(c2ccc(F)cc2)CCC1)C(F)(F)F
InChIInChI=1S/C15H19F4NO/c1-13(21,15(17,18)19)9-12(20)14(7-2-8-14)10-3-5-11(16)6-4-10/h3-6,12,21H,2,7-9,20H2,1H3
InChIKeyALRNARHPPXHSRG-UHFFFAOYSA-N
XLogP3.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol 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

3-(Aminomethyl)-3-phenyl-1-(trifluoromethyl)cyclobutan-1-ol hydrochloride
CID 132344007
3-Amino-1-[(3-fluorophenyl)methyl]cyclobutan-1-ol
CID 75539639
1-(3-Fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024897
1-(2,4-Difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103025004
4-Methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 103025035
1-(3,4-Difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103028975
1-(4-Fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029469
1-(2,6-Difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029514
1-(3,5-Difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029524
2-(Aminomethyl)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methylpentan-2-ol
CID 17935623
4-(Dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
CID 19823646
1-(Dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
CID 19823654

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol?
The IUPAC name of 4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol (CID 19823816) is 4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol?
The canonical SMILES for 4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol is CC(O)(CC(N)C1(c2ccc(F)cc2)CCC1)C(F)(F)F.
What is the InChIKey of 4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol?
The InChIKey is ALRNARHPPXHSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO/c1-13(21,15(17,18)19)9-12(20)14(7-2-8-14)10-3-5-11(16)6-4-10/h3-6,12,21H,2,7-9,20H2,1H3.
What are the key properties of 4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol?
4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol has a molecular weight of 305.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol is sourced from PubChem (CID 19823816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).