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

C16H24FNO2 — CID 19823682

IUPAC4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol
SMILESCOCC(C)(O)CC(N)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H24FNO2/c1-15(19,11-20-2)10-14(18)16(8-3-9-16)12-4-6-13(17)7-5-12/h4-7,14,19H,3,8-11,18H2,1-2H3
InChIKeyQNMOLSJJLNFDMA-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.36
Rot. Bonds6

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

4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol (PubChem CID 19823682) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol
PubChem CID19823682
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol
SMILESCOCC(C)(O)CC(N)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H24FNO2/c1-15(19,11-20-2)10-14(18)16(8-3-9-16)12-4-6-13(17)7-5-12/h4-7,14,19H,3,8-11,18H2,1-2H3
InChIKeyQNMOLSJJLNFDMA-UHFFFAOYSA-N
XLogP2.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-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

1-(3-Fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024897
(1S,2R,3R)-1-(3,5-difluorobenzyl)-2,3-dihydroxyheptylamine
CID 11184883
4-Amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
CID 19823671
1-Amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol
CID 19823675
4-Amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
CID 19823677
1-Amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
CID 19823685
4-Propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823700
4-Amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol
CID 19823711
1-Amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
CID 19823725
1-Amino-5-ethoxy-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
CID 19823769
4-Amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
CID 19823796
1-Amino-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
CID 19823805

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol?
The IUPAC name of 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol (CID 19823682) is 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol is COCC(C)(O)CC(N)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol?
The InChIKey is QNMOLSJJLNFDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-15(19,11-20-2)10-14(18)16(8-3-9-16)12-4-6-13(17)7-5-12/h4-7,14,19H,3,8-11,18H2,1-2H3.
What are the key properties of 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol?
4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol has a molecular weight of 281.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 19823682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).