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

C18H28FNO2 — CID 19823725

IUPAC1-amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
SMILESCCOCC(O)(CC)CC(N)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C18H28FNO2/c1-3-17(21,13-22-4-2)12-16(20)18(10-5-11-18)14-6-8-15(19)9-7-14/h6-9,16,21H,3-5,10-13,20H2,1-2H3
InChIKeyCNBDMYOQKXCRIZ-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.14
Rot. Bonds8

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

1-amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol (PubChem CID 19823725) has the molecular formula C18H28FNO2 and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol.

Molecular Properties

Compound Name1-amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
PubChem CID19823725
Molecular FormulaC18H28FNO2
Molecular Weight309.43 g/mol
Exact Mass309.21
IUPAC Name1-amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
SMILESCCOCC(O)(CC)CC(N)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C18H28FNO2/c1-3-17(21,13-22-4-2)12-16(20)18(10-5-11-18)14-6-8-15(19)9-7-14/h6-9,16,21H,3-5,10-13,20H2,1-2H3
InChIKeyCNBDMYOQKXCRIZ-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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol?
The IUPAC name of 1-amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol (CID 19823725) is 1-amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol.
What is the SMILES notation for 1-amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol?
The canonical SMILES for 1-amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol is CCOCC(O)(CC)CC(N)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol?
The InChIKey is CNBDMYOQKXCRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO2/c1-3-17(21,13-22-4-2)12-16(20)18(10-5-11-18)14-6-8-15(19)9-7-14/h6-9,16,21H,3-5,10-13,20H2,1-2H3.
What are the key properties of 1-amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol?
1-amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-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-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol is sourced from PubChem (CID 19823725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).