[1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine

C16H23NO2 — CID 116874803

IUPAC[1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine
SMILESCOc1c(C)cc(C)cc1C1(C2(CN)CC2)COC1
InChIInChI=1S/C16H23NO2/c1-11-6-12(2)14(18-3)13(7-11)16(9-19-10-16)15(8-17)4-5-15/h6-7H,4-5,8-10,17H2,1-3H3
InChIKeyZNJIDIPHOZVODL-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.32
Rot. Bonds4

About [1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine

[1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine (PubChem CID 116874803) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine
PubChem CID116874803
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine
SMILESCOc1c(C)cc(C)cc1C1(C2(CN)CC2)COC1
InChIInChI=1S/C16H23NO2/c1-11-6-12(2)14(18-3)13(7-11)16(9-19-10-16)15(8-17)4-5-15/h6-7H,4-5,8-10,17H2,1-3H3
InChIKeyZNJIDIPHOZVODL-UHFFFAOYSA-N
XLogP2.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
CID 116870590
3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871327
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline
CID 115243996
[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874955
[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874726
[1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874811
[1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine
CID 116874836
2-[3-(5-chloro-2-methoxy-3-methylphenyl)oxetan-3-yl]propan-1-amine
CID 116869757
[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
[1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874842
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2,4,6-trimethylphenyl)ethanamine
CID 115249565
[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320250

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine (CID 116874803) is [1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine is COc1c(C)cc(C)cc1C1(C2(CN)CC2)COC1.
What is the InChIKey of [1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine?
The InChIKey is ZNJIDIPHOZVODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-6-12(2)14(18-3)13(7-11)16(9-19-10-16)15(8-17)4-5-15/h6-7H,4-5,8-10,17H2,1-3H3.
What are the key properties of [1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine?
[1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine has a molecular weight of 261.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116874803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).