2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol

C14H21NO4 — CID 116874500

IUPAC2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol
SMILESCOc1cc(C)c(C2(C(O)CN)COC2)cc1OC
InChIInChI=1S/C14H21NO4/c1-9-4-11(17-2)12(18-3)5-10(9)14(7-19-8-14)13(16)6-15/h4-5,13,16H,6-8,15H2,1-3H3
InChIKeyQAGQWWYHPDHDJZ-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.60
Rot. Bonds5

About 2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol

2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol (PubChem CID 116874500) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol
PubChem CID116874500
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol
SMILESCOc1cc(C)c(C2(C(O)CN)COC2)cc1OC
InChIInChI=1S/C14H21NO4/c1-9-4-11(17-2)12(18-3)5-10(9)14(7-19-8-14)13(16)6-15/h4-5,13,16H,6-8,15H2,1-3H3
InChIKeyQAGQWWYHPDHDJZ-UHFFFAOYSA-N
XLogP0.60
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol 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

2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol
CID 116874495
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanone
CID 116873741
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873839
2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid
CID 116872053
2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid
CID 116874328
2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol
CID 116874546
[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol
CID 116829719
2-[3-(5-chloro-2-methoxy-3-methylphenyl)oxetan-3-yl]propan-1-amine
CID 116869757
3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870043
methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate
CID 116873446
ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate
CID 116875799
1-[3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]ethanone
CID 116873715

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol?
The IUPAC name of 2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol (CID 116874500) is 2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol is COc1cc(C)c(C2(C(O)CN)COC2)cc1OC.
What is the InChIKey of 2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol?
The InChIKey is QAGQWWYHPDHDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-4-11(17-2)12(18-3)5-10(9)14(7-19-8-14)13(16)6-15/h4-5,13,16H,6-8,15H2,1-3H3.
What are the key properties of 2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol?
2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol has a molecular weight of 267.32 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol is sourced from PubChem (CID 116874500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).