[3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol

C15H23NO3 — CID 115248984

IUPAC[3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol
SMILESCOc1cc(C)cc(C)c1CNCC1(CO)COC1
InChIInChI=1S/C15H23NO3/c1-11-4-12(2)13(14(5-11)18-3)6-16-7-15(8-17)9-19-10-15/h4-5,16-17H,6-10H2,1-3H3
InChIKeyISTVUUIVCFZAHS-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.41
Rot. Bonds6

About [3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol

[3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol (PubChem CID 115248984) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol
PubChem CID115248984
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol
SMILESCOc1cc(C)cc(C)c1CNCC1(CO)COC1
InChIInChI=1S/C15H23NO3/c1-11-4-12(2)13(14(5-11)18-3)6-16-7-15(8-17)9-19-10-15/h4-5,16-17H,6-10H2,1-3H3
InChIKeyISTVUUIVCFZAHS-UHFFFAOYSA-N
XLogP1.41
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol with MolForge

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Related Compounds

[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116930388
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 115244136
[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248783
3-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248425
[3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol
CID 115248969
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine
CID 115195883
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2,4,6-trimethylphenyl)ethanamine
CID 115249565
[3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248804
N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206979
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 103802368
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115203222
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165

Frequently Asked Questions

What is the IUPAC name of [3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol (CID 115248984) is [3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol is COc1cc(C)cc(C)c1CNCC1(CO)COC1.
What is the InChIKey of [3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is ISTVUUIVCFZAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-4-12(2)13(14(5-11)18-3)6-16-7-15(8-17)9-19-10-15/h4-5,16-17H,6-10H2,1-3H3.
What are the key properties of [3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol?
[3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 265.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115248984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).