2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol

C12H19NO4 — CID 117355242

IUPAC2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol
SMILESCOCc1cc(OC)c(OC)c(C(N)CO)c1
InChIInChI=1S/C12H19NO4/c1-15-7-8-4-9(10(13)6-14)12(17-3)11(5-8)16-2/h4-5,10,14H,6-7,13H2,1-3H3
InChIKeyZEXYZGUYOGMXII-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.84
Rot. Bonds6

About 2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol

2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol (PubChem CID 117355242) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol
PubChem CID117355242
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol
SMILESCOCc1cc(OC)c(OC)c(C(N)CO)c1
InChIInChI=1S/C12H19NO4/c1-15-7-8-4-9(10(13)6-14)12(17-3)11(5-8)16-2/h4-5,10,14H,6-7,13H2,1-3H3
InChIKeyZEXYZGUYOGMXII-UHFFFAOYSA-N
XLogP0.84
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-1-ol
CID 117353542
2-amino-2-[2-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 83885403
2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol
CID 83904365
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol
CID 117353559
2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 117330301
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
CID 66515094
(2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol
CID 66516371

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol (CID 117355242) is 2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol is COCc1cc(OC)c(OC)c(C(N)CO)c1.
What is the InChIKey of 2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol?
The InChIKey is ZEXYZGUYOGMXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-15-7-8-4-9(10(13)6-14)12(17-3)11(5-8)16-2/h4-5,10,14H,6-7,13H2,1-3H3.
What are the key properties of 2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol?
2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol has a molecular weight of 241.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 117355242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).