2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol

C12H19NO4 — CID 117355259

IUPAC2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol
SMILESCOCc1cc(OC)c(OC)cc1C(O)CN
InChIInChI=1S/C12H19NO4/c1-15-7-8-4-11(16-2)12(17-3)5-9(8)10(14)6-13/h4-5,10,14H,6-7,13H2,1-3H3
InChIKeyPFUGOKREQULDKW-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.84
Rot. Bonds6

About 2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol

2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol (PubChem CID 117355259) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol
PubChem CID117355259
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol
SMILESCOCc1cc(OC)c(OC)cc1C(O)CN
InChIInChI=1S/C12H19NO4/c1-15-7-8-4-11(16-2)12(17-3)5-9(8)10(14)6-13/h4-5,10,14H,6-7,13H2,1-3H3
InChIKeyPFUGOKREQULDKW-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-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117468575
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355258
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol
CID 117353545
2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol
CID 117355251
2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine
CID 117465245
2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol
CID 117440336
2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol
CID 117360537
2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol
CID 83894968
1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol
CID 112518377
2-amino-1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]ethanol
CID 117330317
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol (CID 117355259) is 2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol is COCc1cc(OC)c(OC)cc1C(O)CN.
What is the InChIKey of 2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol?
The InChIKey is PFUGOKREQULDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-15-7-8-4-11(16-2)12(17-3)5-9(8)10(14)6-13/h4-5,10,14H,6-7,13H2,1-3H3.
What are the key properties of 2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol?
2-amino-1-[4,5-dimethoxy-2-(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-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 117355259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).