[1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine

C14H19NO — CID 117309887

IUPAC[1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2cccc(C3COC3)c2)CCC1
InChIInChI=1S/C14H19NO/c15-10-14(5-2-6-14)13-4-1-3-11(7-13)12-8-16-9-12/h1,3-4,7,12H,2,5-6,8-10,15H2
InChIKeyPAJGRXKBRTUOJL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.18
Rot. Bonds3

About [1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine

[1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine (PubChem CID 117309887) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is [1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine
PubChem CID117309887
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name[1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2cccc(C3COC3)c2)CCC1
InChIInChI=1S/C14H19NO/c15-10-14(5-2-6-14)13-4-1-3-11(7-13)12-8-16-9-12/h1,3-4,7,12H,2,5-6,8-10,15H2
InChIKeyPAJGRXKBRTUOJL-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-cyclobutylphenyl)cyclobutyl]methanamine
CID 117307162
[1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine
CID 84793975
1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine
CID 84771178
[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine
CID 117397255
[1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine
CID 117399945
3-[3-(1-isocyanatocyclopentyl)phenyl]oxetane
CID 117360091
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301
3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline
CID 82609365
[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
CID 117301607
1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol
CID 117113123
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117316856
[1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine
CID 117467815

Frequently Asked Questions

What is the IUPAC name of [1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine (CID 117309887) is [1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine is NCC1(c2cccc(C3COC3)c2)CCC1.
What is the InChIKey of [1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine?
The InChIKey is PAJGRXKBRTUOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-10-14(5-2-6-14)13-4-1-3-11(7-13)12-8-16-9-12/h1,3-4,7,12H,2,5-6,8-10,15H2.
What are the key properties of [1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine?
[1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine has a molecular weight of 217.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117309887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).