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

C18H28FNO2 — CID 19823769

IUPAC1-amino-5-ethoxy-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
SMILESCCOCCC(C)(O)CC(N)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C18H28FNO2/c1-3-22-12-11-17(2,21)13-16(20)18(9-4-10-18)14-5-7-15(19)8-6-14/h5-8,16,21H,3-4,9-13,20H2,1-2H3
InChIKeyKBXZFYZAQKMGGG-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.14
Rot. Bonds8

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

1-amino-5-ethoxy-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol (PubChem CID 19823769) has the molecular formula C18H28FNO2 and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-amino-5-ethoxy-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol.

Molecular Properties

Compound Name1-amino-5-ethoxy-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
PubChem CID19823769
Molecular FormulaC18H28FNO2
Molecular Weight309.43 g/mol
Exact Mass309.21
IUPAC Name1-amino-5-ethoxy-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
SMILESCCOCCC(C)(O)CC(N)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C18H28FNO2/c1-3-22-12-11-17(2,21)13-16(20)18(9-4-10-18)14-5-7-15(19)8-6-14/h5-8,16,21H,3-4,9-13,20H2,1-2H3
InChIKeyKBXZFYZAQKMGGG-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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Related Compounds

1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
CID 19823868
1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol
CID 19823785
4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-2-ol;(4R)-4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-2-ol;(4S)-4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-2-ol
CID 161212777
3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
CID 56500429
2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine
CID 114347866
ethyl 2,2-difluoro-3-[1-(4-fluorophenyl)-2-oxocyclopentyl]propanoate
CID 132511482
1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine
CID 13083249
1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene
CID 84723635
2-ethoxy-1-(4-phenyloxan-4-yl)ethanamine
CID 79575662
(2-ethoxyphenyl)-(1-phenylcyclobutyl)methanamine
CID 63079875
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 62595679
2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761603

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-ethoxy-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol?
The IUPAC name of 1-amino-5-ethoxy-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol (CID 19823769) is 1-amino-5-ethoxy-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol.
What is the SMILES notation for 1-amino-5-ethoxy-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol?
The canonical SMILES for 1-amino-5-ethoxy-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol is CCOCCC(C)(O)CC(N)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-amino-5-ethoxy-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol?
The InChIKey is KBXZFYZAQKMGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO2/c1-3-22-12-11-17(2,21)13-16(20)18(9-4-10-18)14-5-7-15(19)8-6-14/h5-8,16,21H,3-4,9-13,20H2,1-2H3.
What are the key properties of 1-amino-5-ethoxy-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol?
1-amino-5-ethoxy-1-[1-(4-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-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol is sourced from PubChem (CID 19823769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).