2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol

C12H19NO4 — CID 117355251

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

About 2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol

2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol (PubChem CID 117355251) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol
PubChem CID117355251
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol
SMILESCOCc1cc(OC)c(C(O)CN)c(OC)c1
InChIInChI=1S/C12H19NO4/c1-15-7-8-4-10(16-2)12(9(14)6-13)11(5-8)17-3/h4-5,9,14H,6-7,13H2,1-3H3
InChIKeyLILTXJPRWCMODK-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-[3-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 117301771
2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117355259
2-amino-1-(2-chloro-6-methoxy-4-methylphenyl)ethanol
CID 84784457
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355258
(E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine
CID 117347125
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117468575
3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one
CID 117385904
2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
CID 84689924
2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol
CID 84671141
2-[2-methoxy-4-(methoxymethyl)phenyl]propan-1-amine
CID 83884511
2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol
CID 84693134

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol (CID 117355251) is 2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol is COCc1cc(OC)c(C(O)CN)c(OC)c1.
What is the InChIKey of 2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol?
The InChIKey is LILTXJPRWCMODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-15-7-8-4-10(16-2)12(9(14)6-13)11(5-8)17-3/h4-5,9,14H,6-7,13H2,1-3H3.
What are the key properties of 2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol?
2-amino-1-[2,6-dimethoxy-4-(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-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 117355251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).