[3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol

C15H23NO3 — CID 116912962

IUPAC[3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol
SMILESCOc1ccc(C)cc1C(N(C)C)C1(CO)COC1
InChIInChI=1S/C15H23NO3/c1-11-5-6-13(18-4)12(7-11)14(16(2)3)15(8-17)9-19-10-15/h5-7,14,17H,8-10H2,1-4H3
InChIKeyAGZKKHCJOBACSN-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.62
Rot. Bonds5

About [3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol

[3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol (PubChem CID 116912962) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol
PubChem CID116912962
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol
SMILESCOc1ccc(C)cc1C(N(C)C)C1(CO)COC1
InChIInChI=1S/C15H23NO3/c1-11-5-6-13(18-4)12(7-11)14(16(2)3)15(8-17)9-19-10-15/h5-7,14,17H,8-10H2,1-4H3
InChIKeyAGZKKHCJOBACSN-UHFFFAOYSA-N
XLogP1.62
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol
CID 116912133
[1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912673
[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958241
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
3-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959346
2-chloro-1-(2-methoxy-5-methylphenyl)-N,N-dimethylethanamine
CID 116907394
1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82283769
[3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol
CID 116912949
[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944822
[1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol
CID 79063099
1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909202
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116913049

Frequently Asked Questions

What is the IUPAC name of [3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol (CID 116912962) is [3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol is COc1ccc(C)cc1C(N(C)C)C1(CO)COC1.
What is the InChIKey of [3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol?
The InChIKey is AGZKKHCJOBACSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-5-6-13(18-4)12(7-11)14(16(2)3)15(8-17)9-19-10-15/h5-7,14,17H,8-10H2,1-4H3.
What are the key properties of [3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol?
[3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol has a molecular weight of 265.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116912962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).