3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine

C16H23NO — CID 116871328

IUPAC3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
SMILESCc1cc(C)c(C2(C3CC(N)C3)COC2)cc1C
InChIInChI=1S/C16H23NO/c1-10-4-12(3)15(5-11(10)2)16(8-18-9-16)13-6-14(17)7-13/h4-5,13-14H,6-9,17H2,1-3H3
InChIKeyAMWROAPSXACXMN-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.62
Rot. Bonds2

About 3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine

3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine (PubChem CID 116871328) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
PubChem CID116871328
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
SMILESCc1cc(C)c(C2(C3CC(N)C3)COC2)cc1C
InChIInChI=1S/C16H23NO/c1-10-4-12(3)15(5-11(10)2)16(8-18-9-16)13-6-14(17)7-13/h4-5,13-14H,6-9,17H2,1-3H3
InChIKeyAMWROAPSXACXMN-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871327
3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871305
3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine
CID 112564133
3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine
CID 116870769
3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine
CID 116870718
2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol
CID 116874495
5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one
CID 116871347
4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine
CID 116871274
N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine
CID 116870511
N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline
CID 115213957
9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171962017
[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]hydrazine
CID 116876261

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine (CID 116871328) is 3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine is Cc1cc(C)c(C2(C3CC(N)C3)COC2)cc1C.
What is the InChIKey of 3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine?
The InChIKey is AMWROAPSXACXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-10-4-12(3)15(5-11(10)2)16(8-18-9-16)13-6-14(17)7-13/h4-5,13-14H,6-9,17H2,1-3H3.
What are the key properties of 3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine?
3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 116871328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).