2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine

C16H25NO2 — CID 116869938

IUPAC2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine
SMILESCOc1cc(C)cc(C)c1C1(C(C)(C)CN)COC1
InChIInChI=1S/C16H25NO2/c1-11-6-12(2)14(13(7-11)18-5)16(9-19-10-16)15(3,4)8-17/h6-7H,8-10,17H2,1-5H3
InChIKeyNDQQKLWNXFUDKX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.56
Rot. Bonds4

About 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine

2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine (PubChem CID 116869938) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine
PubChem CID116869938
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine
SMILESCOc1cc(C)cc(C)c1C1(C(C)(C)CN)COC1
InChIInChI=1S/C16H25NO2/c1-11-6-12(2)14(13(7-11)18-5)16(9-19-10-16)15(3,4)8-17/h6-7H,8-10,17H2,1-5H3
InChIKeyNDQQKLWNXFUDKX-UHFFFAOYSA-N
XLogP2.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine
CID 116872794
3-(2-methoxy-4,6-dimethylphenyl)oxetane-3-carboxylic acid
CID 116871795
1-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]propan-2-one
CID 116873850
3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine
CID 116870101
[3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol
CID 115248984
[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116930388
2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine
CID 116870822
N'-(2-methoxy-4,6-dimethylphenyl)methanediamine
CID 115225448
3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870043
3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane
CID 116875861
1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine
CID 116869883
2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]-2-methylpropanenitrile
CID 116873637

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine (CID 116869938) is 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine is COc1cc(C)cc(C)c1C1(C(C)(C)CN)COC1.
What is the InChIKey of 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine?
The InChIKey is NDQQKLWNXFUDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-6-12(2)14(13(7-11)18-5)16(9-19-10-16)15(3,4)8-17/h6-7H,8-10,17H2,1-5H3.
What are the key properties of 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine?
2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116869938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).