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

C18H28FNO2 — CID 19823868

IUPAC1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
SMILESCCOCCC(C)(O)CC(N)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C18H28FNO2/c1-3-22-11-10-17(2,21)13-16(20)18(8-5-9-18)14-6-4-7-15(19)12-14/h4,6-7,12,16,21H,3,5,8-11,13,20H2,1-2H3
InChIKeyXBKZDQQHVWIKSP-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.14
Rot. Bonds8

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

1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol (PubChem CID 19823868) has the molecular formula C18H28FNO2 and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol.

Molecular Properties

Compound Name1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
PubChem CID19823868
Molecular FormulaC18H28FNO2
Molecular Weight309.43 g/mol
Exact Mass309.21
IUPAC Name1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
SMILESCCOCCC(C)(O)CC(N)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C18H28FNO2/c1-3-22-11-10-17(2,21)13-16(20)18(8-5-9-18)14-6-4-7-15(19)12-14/h4,6-7,12,16,21H,3,5,8-11,13,20H2,1-2H3
InChIKeyXBKZDQQHVWIKSP-UHFFFAOYSA-N
XLogP3.14
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol?
The IUPAC name of 1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol (CID 19823868) is 1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol.
What is the SMILES notation for 1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol?
The canonical SMILES for 1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol is CCOCCC(C)(O)CC(N)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol?
The InChIKey is XBKZDQQHVWIKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO2/c1-3-22-11-10-17(2,21)13-16(20)18(8-5-9-18)14-6-4-7-15(19)12-14/h4,6-7,12,16,21H,3,5,8-11,13,20H2,1-2H3.
What are the key properties of 1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol?
1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol has a molecular weight of 309.43 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol is sourced from PubChem (CID 19823868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).