2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol

C12H19NO3 — CID 84689924

IUPAC2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
SMILESCOc1cc(C)c(C(O)CN)c(C)c1OC
InChIInChI=1S/C12H19NO3/c1-7-5-10(15-3)12(16-4)8(2)11(7)9(14)6-13/h5,9,14H,6,13H2,1-4H3
InChIKeyCOZIEYTWLKEQSN-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.31
Rot. Bonds4

About 2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol

2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol (PubChem CID 84689924) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
PubChem CID84689924
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
SMILESCOc1cc(C)c(C(O)CN)c(C)c1OC
InChIInChI=1S/C12H19NO3/c1-7-5-10(15-3)12(16-4)8(2)11(7)9(14)6-13/h5,9,14H,6,13H2,1-4H3
InChIKeyCOZIEYTWLKEQSN-UHFFFAOYSA-N
XLogP1.31
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol
CID 84693134
4-(1-bromoethyl)-1,2-dimethoxy-3,5-dimethylbenzene
CID 174571134
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
CID 117465253
1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol
CID 116830252
3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol
CID 117372422
2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474365
2-amino-1-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)ethanol
CID 117474367
2-amino-1-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474366
5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
CID 117301752
4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol
CID 84781748
2-amino-1-(2-chloro-6-methoxy-4-methylphenyl)ethanol
CID 84784457
2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol
CID 84679635

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol?
The IUPAC name of 2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol (CID 84689924) is 2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol is COc1cc(C)c(C(O)CN)c(C)c1OC.
What is the InChIKey of 2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol?
The InChIKey is COZIEYTWLKEQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-7-5-10(15-3)12(16-4)8(2)11(7)9(14)6-13/h5,9,14H,6,13H2,1-4H3.
What are the key properties of 2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol?
2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol is sourced from PubChem (CID 84689924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).