[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine

C17H25NO — CID 116874955

IUPAC[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine
SMILESCc1ccc(C2(C3(CN)CCC3)COC2)c(C)c1C
InChIInChI=1S/C17H25NO/c1-12-5-6-15(14(3)13(12)2)17(10-19-11-17)16(9-18)7-4-8-16/h5-6H,4,7-11,18H2,1-3H3
InChIKeyGIAZGULFPGFZGP-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.01
Rot. Bonds3

About [1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine

[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine (PubChem CID 116874955) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine
PubChem CID116874955
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine
SMILESCc1ccc(C2(C3(CN)CCC3)COC2)c(C)c1C
InChIInChI=1S/C17H25NO/c1-12-5-6-15(14(3)13(12)2)17(10-19-11-17)16(9-18)7-4-8-16/h5-6H,4,7-11,18H2,1-3H3
InChIKeyGIAZGULFPGFZGP-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
CID 116963513
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline
CID 115245654
[1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874842
[1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874803
[1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol
CID 116875023
2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine
CID 116869514
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,3,4-trimethylphenyl)methanamine
CID 115249465
N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine
CID 116869315
[1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874811
[1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine
CID 116874836
N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine
CID 116872821
N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine
CID 116869709

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine (CID 116874955) is [1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine is Cc1ccc(C2(C3(CN)CCC3)COC2)c(C)c1C.
What is the InChIKey of [1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine?
The InChIKey is GIAZGULFPGFZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-5-6-15(14(3)13(12)2)17(10-19-11-17)16(9-18)7-4-8-16/h5-6H,4,7-11,18H2,1-3H3.
What are the key properties of [1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine?
[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine is sourced from PubChem (CID 116874955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).