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

C16H25NO2 — CID 116872267

IUPAC2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)C1(c2cc(C)c(OC)cc2C)COC1
InChIInChI=1S/C16H25NO2/c1-11-8-14(18-6)12(2)7-13(11)16(9-19-10-16)15(3,4)17-5/h7-8,17H,9-10H2,1-6H3
InChIKeyYVCRKELYPBWQEL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.58
Rot. Bonds4

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

2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine (PubChem CID 116872267) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine
PubChem CID116872267
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)C1(c2cc(C)c(OC)cc2C)COC1
InChIInChI=1S/C16H25NO2/c1-11-8-14(18-6)12(2)7-13(11)16(9-19-10-16)15(3,4)17-5/h7-8,17H,9-10H2,1-6H3
InChIKeyYVCRKELYPBWQEL-UHFFFAOYSA-N
XLogP2.58
TPSA30.49 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-3-(4-methoxy-2,5-dimethylphenyl)oxetane
CID 116876485
[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]hydrazine
CID 116876261
3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane
CID 116875861
2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]-2-methylpropanenitrile
CID 116873637
methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate
CID 116873446
2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid
CID 116872053
4-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]butan-2-one
CID 116873901
3-[(4-methoxy-2,5-dimethylanilino)methyl]oxetane-3-carboxylic acid
CID 115248282
[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248783
3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870043
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanone
CID 116873741

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine (CID 116872267) is 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine is CNC(C)(C)C1(c2cc(C)c(OC)cc2C)COC1.
What is the InChIKey of 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine?
The InChIKey is YVCRKELYPBWQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-8-14(18-6)12(2)7-13(11)16(9-19-10-16)15(3,4)17-5/h7-8,17H,9-10H2,1-6H3.
What are the key properties of 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine?
2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 116872267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).