2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol

C11H16ClNO2 — CID 84793313

IUPAC2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol
SMILESCNCC(O)c1cc(C)c(O)c(Cl)c1C
InChIInChI=1S/C11H16ClNO2/c1-6-4-8(9(14)5-13-3)7(2)10(12)11(6)15/h4,9,13-15H,5H2,1-3H3
InChIKeyZRXABSIODWVMBM-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.92
Rot. Bonds3

About 2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol

2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol (PubChem CID 84793313) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol.

Molecular Properties

Compound Name2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol
PubChem CID84793313
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol
SMILESCNCC(O)c1cc(C)c(O)c(Cl)c1C
InChIInChI=1S/C11H16ClNO2/c1-6-4-8(9(14)5-13-3)7(2)10(12)11(6)15/h4,9,13-15H,5H2,1-3H3
InChIKeyZRXABSIODWVMBM-UHFFFAOYSA-N
XLogP1.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol
CID 84783153
5-[1-hydroxy-2-(methylamino)ethyl]-3,4-dimethylbenzene-1,2-diol
CID 117301904
3-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-5-methylbenzene-1,2-diol
CID 117335501
2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol
CID 84792671
1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
CID 84774389
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol
CID 67042709
4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol
CID 117108193
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782
1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
CID 84683301
1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915
2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 82608027
2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol
CID 18725086

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol?
The IUPAC name of 2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol (CID 84793313) is 2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol.
What is the SMILES notation for 2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol?
The canonical SMILES for 2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol is CNCC(O)c1cc(C)c(O)c(Cl)c1C.
What is the InChIKey of 2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol?
The InChIKey is ZRXABSIODWVMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-6-4-8(9(14)5-13-3)7(2)10(12)11(6)15/h4,9,13-15H,5H2,1-3H3.
What are the key properties of 2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol?
2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol has a molecular weight of 229.71 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol is sourced from PubChem (CID 84793313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).