1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol

C17H26FNO — CID 19823685

IUPAC1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
SMILESCCC(O)(CC)CC(N)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C17H26FNO/c1-3-16(20,4-2)12-15(19)17(10-5-11-17)13-6-8-14(18)9-7-13/h6-9,15,20H,3-5,10-12,19H2,1-2H3
InChIKeyXQJFVETZOZGLHG-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.52
Rot. Bonds6

About 1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol

1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol (PubChem CID 19823685) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol.

Molecular Properties

Compound Name1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
PubChem CID19823685
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
SMILESCCC(O)(CC)CC(N)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C17H26FNO/c1-3-16(20,4-2)12-15(19)17(10-5-11-17)13-6-8-14(18)9-7-13/h6-9,15,20H,3-5,10-12,19H2,1-2H3
InChIKeyXQJFVETZOZGLHG-UHFFFAOYSA-N
XLogP3.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol?
The IUPAC name of 1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol (CID 19823685) is 1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol.
What is the SMILES notation for 1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol?
The canonical SMILES for 1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol is CCC(O)(CC)CC(N)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol?
The InChIKey is XQJFVETZOZGLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-16(20,4-2)12-15(19)17(10-5-11-17)13-6-8-14(18)9-7-13/h6-9,15,20H,3-5,10-12,19H2,1-2H3.
What are the key properties of 1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol?
1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol has a molecular weight of 279.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol is sourced from PubChem (CID 19823685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).