3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine

C16H22FNO — CID 104530912

IUPAC3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCCC3CCOC3)C2)cc1
InChIInChI=1S/C16H22FNO/c17-15-3-1-13(2-4-15)14-9-16(10-14)18-7-5-12-6-8-19-11-12/h1-4,12,14,16,18H,5-11H2
InChIKeyCYRAPWMFUZUCLW-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.09
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine

3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine (PubChem CID 104530912) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine
PubChem CID104530912
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCCC3CCOC3)C2)cc1
InChIInChI=1S/C16H22FNO/c17-15-3-1-13(2-4-15)14-9-16(10-14)18-7-5-12-6-8-19-11-12/h1-4,12,14,16,18H,5-11H2
InChIKeyCYRAPWMFUZUCLW-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine
CID 106704300
3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 54917361
N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 113424537
N-[2-(oxolan-3-yl)ethyl]cyclohexanamine
CID 103878945
2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine
CID 102673023
3-(4-chlorophenyl)-N-(2-cyclohexylethyl)cyclobutan-1-amine
CID 63448300
3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
CID 116642832
4-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol
CID 81130345
N-[2-(4-fluorophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632093
3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine
CID 54904499
N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097606
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 60920137

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine (CID 104530912) is 3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine is Fc1ccc(C2CC(NCCC3CCOC3)C2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine?
The InChIKey is CYRAPWMFUZUCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-15-3-1-13(2-4-15)14-9-16(10-14)18-7-5-12-6-8-19-11-12/h1-4,12,14,16,18H,5-11H2.
What are the key properties of 3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine?
3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 104530912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).