3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine

C16H25NO2 — CID 116870298

IUPAC3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine
SMILESCOc1c(C)cc(C2(CC(C)CN)COC2)cc1C
InChIInChI=1S/C16H25NO2/c1-11(8-17)7-16(9-19-10-16)14-5-12(2)15(18-4)13(3)6-14/h5-6,11H,7-10,17H2,1-4H3
InChIKeyBBBUENDYMBXEEF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.56
Rot. Bonds5

About 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine

3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine (PubChem CID 116870298) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine
PubChem CID116870298
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine
SMILESCOc1c(C)cc(C2(CC(C)CN)COC2)cc1C
InChIInChI=1S/C16H25NO2/c1-11(8-17)7-16(9-19-10-16)14-5-12(2)15(18-4)13(3)6-14/h5-6,11H,7-10,17H2,1-4H3
InChIKeyBBBUENDYMBXEEF-UHFFFAOYSA-N
XLogP2.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
CID 116870615
[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol
CID 116829779
3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870103
[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanethiol
CID 116872512
3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870264
2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine
CID 116870299
[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117339009
N-[[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
CID 116870590
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198678
2-[3-(5-chloro-2-methoxy-3-methylphenyl)oxetan-3-yl]propan-1-amine
CID 116869757
3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870294
[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 84790715

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine (CID 116870298) is 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine is COc1c(C)cc(C2(CC(C)CN)COC2)cc1C.
What is the InChIKey of 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine?
The InChIKey is BBBUENDYMBXEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(8-17)7-16(9-19-10-16)14-5-12(2)15(18-4)13(3)6-14/h5-6,11H,7-10,17H2,1-4H3.
What are the key properties of 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine?
3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116870298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).