4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol

C11H17NO3 — CID 171199776

IUPAC4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
SMILESCC[C@@H](N)c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C11H17NO3/c1-4-8(12)7-5-9(14-2)11(13)10(6-7)15-3/h5-6,8,13H,4,12H2,1-3H3/t8-/m1/s1
InChIKeyKMHYKQOBCIYQBD-MRVPVSSYSA-N
MW211.26 g/mol
LogP1.82
Rot. Bonds4

About 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol

4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol (PubChem CID 171199776) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
PubChem CID171199776
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
SMILESCC[C@@H](N)c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C11H17NO3/c1-4-8(12)7-5-9(14-2)11(13)10(6-7)15-3/h5-6,8,13H,4,12H2,1-3H3/t8-/m1/s1
InChIKeyKMHYKQOBCIYQBD-MRVPVSSYSA-N
XLogP1.82
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
4-[(1S)-1,3-diaminopropyl]-2,6-dimethoxyphenol
CID 171219296
4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol
CID 171219313
4-[(1S)-1-amino-3,3-difluoropropyl]-2,6-dimethoxyphenol
CID 171312856
4-[(1R)-1,4-diaminobutyl]-2,6-dimethoxyphenol
CID 171199771
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol
CID 171219341
4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219344
4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199826
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219342
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[(1R)-1,2-diaminoethyl]-2-iodo-6-methoxyphenol
CID 131213942
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol (CID 171199776) is 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol is CC[C@@H](N)c1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol?
The InChIKey is KMHYKQOBCIYQBD-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-8(12)7-5-9(14-2)11(13)10(6-7)15-3/h5-6,8,13H,4,12H2,1-3H3/t8-/m1/s1.
What are the key properties of 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol?
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol has a molecular weight of 211.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 171199776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).