3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine

C14H18FNO — CID 116871305

IUPAC3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine
SMILESCc1cc(C2(C3CC(N)C3)COC2)ccc1F
InChIInChI=1S/C14H18FNO/c1-9-4-10(2-3-13(9)15)14(7-17-8-14)11-5-12(16)6-11/h2-4,11-12H,5-8,16H2,1H3
InChIKeyHCILVVQAMHSDHZ-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.14
Rot. Bonds2

About 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine

3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine (PubChem CID 116871305) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine
PubChem CID116871305
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine
SMILESCc1cc(C2(C3CC(N)C3)COC2)ccc1F
InChIInChI=1S/C14H18FNO/c1-9-4-10(2-3-13(9)15)14(7-17-8-14)11-5-12(16)6-11/h2-4,11-12H,5-8,16H2,1H3
InChIKeyHCILVVQAMHSDHZ-UHFFFAOYSA-N
XLogP2.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871328
3-(4-fluoro-3-methylphenyl)oxetane-3-thiol
CID 116872842
2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine
CID 116869440
1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone
CID 116873695
3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine
CID 116926413
3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871327
4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine
CID 116871274
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263
(1R)-2-(4-fluoro-3-methylphenyl)cyclopropan-1-amine
CID 70211695
1-(4-fluoro-3-methylphenyl)-3-methylcyclobutan-1-ol
CID 103564406
3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid
CID 116872182
1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086228

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine (CID 116871305) is 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine is Cc1cc(C2(C3CC(N)C3)COC2)ccc1F.
What is the InChIKey of 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine?
The InChIKey is HCILVVQAMHSDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-9-4-10(2-3-13(9)15)14(7-17-8-14)11-5-12(16)6-11/h2-4,11-12H,5-8,16H2,1H3.
What are the key properties of 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine?
3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine has a molecular weight of 235.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 116871305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).