3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol

C11H17NO2 — CID 73211883

IUPAC3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol
SMILESCc1ccc(O)c(C)c1OC[C@@H](C)N
InChIInChI=1S/C11H17NO2/c1-7-4-5-10(13)9(3)11(7)14-6-8(2)12/h4-5,8,13H,6,12H2,1-3H3/t8-/m1/s1
InChIKeyLBHCZYGJQAXJSW-MRVPVSSYSA-N
MW195.26 g/mol
LogP1.74
Rot. Bonds3

About 3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol

3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol (PubChem CID 73211883) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol.

Molecular Properties

Compound Name3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol
PubChem CID73211883
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol
SMILESCc1ccc(O)c(C)c1OC[C@@H](C)N
InChIInChI=1S/C11H17NO2/c1-7-4-5-10(13)9(3)11(7)14-6-8(2)12/h4-5,8,13H,6,12H2,1-3H3/t8-/m1/s1
InChIKeyLBHCZYGJQAXJSW-MRVPVSSYSA-N
XLogP1.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol?
The IUPAC name of 3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol (CID 73211883) is 3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol.
What is the SMILES notation for 3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol?
The canonical SMILES for 3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol is Cc1ccc(O)c(C)c1OC[C@@H](C)N.
What is the InChIKey of 3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol?
The InChIKey is LBHCZYGJQAXJSW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-4-5-10(13)9(3)11(7)14-6-8(2)12/h4-5,8,13H,6,12H2,1-3H3/t8-/m1/s1.
What are the key properties of 3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol?
3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol has a molecular weight of 195.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol is sourced from PubChem (CID 73211883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).