1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol

C17H26FNO2 — CID 19823675

IUPAC1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol
SMILESCOCCC(C)(O)CC(N)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C17H26FNO2/c1-16(20,10-11-21-2)12-15(19)17(8-3-9-17)13-4-6-14(18)7-5-13/h4-7,15,20H,3,8-12,19H2,1-2H3
InChIKeyRSBFPJRFBZBESS-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.75
Rot. Bonds7

About 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol

1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol (PubChem CID 19823675) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol.

Molecular Properties

Compound Name1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol
PubChem CID19823675
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol
SMILESCOCCC(C)(O)CC(N)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C17H26FNO2/c1-16(20,10-11-21-2)12-15(19)17(8-3-9-17)13-4-6-14(18)7-5-13/h4-7,15,20H,3,8-12,19H2,1-2H3
InChIKeyRSBFPJRFBZBESS-UHFFFAOYSA-N
XLogP2.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol?
The IUPAC name of 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol (CID 19823675) is 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol.
What is the SMILES notation for 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol?
The canonical SMILES for 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol is COCCC(C)(O)CC(N)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol?
The InChIKey is RSBFPJRFBZBESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-16(20,10-11-21-2)12-15(19)17(8-3-9-17)13-4-6-14(18)7-5-13/h4-7,15,20H,3,8-12,19H2,1-2H3.
What are the key properties of 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol?
1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol has a molecular weight of 295.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol is sourced from PubChem (CID 19823675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).