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

C11H18ClNO3 — CID 171199777

IUPAC4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
SMILESCC[C@@H](N)c1cc(OC)c(O)c(OC)c1.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-4-8(12)7-5-9(14-2)11(13)10(6-7)15-3;/h5-6,8,13H,4,12H2,1-3H3;1H/t8-;/m1./s1
InChIKeyROQMOIYMXYPKBX-DDWIOCJRSA-N
MW247.72 g/mol
LogP2.24
Rot. Bonds4

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

4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride (PubChem CID 171199777) has the molecular formula C11H18ClNO3 and a molecular weight of 247.72 g/mol. Its IUPAC name is 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
PubChem CID171199777
Molecular FormulaC11H18ClNO3
Molecular Weight247.72 g/mol
Exact Mass247.10
IUPAC Name4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
SMILESCC[C@@H](N)c1cc(OC)c(O)c(OC)c1.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-4-8(12)7-5-9(14-2)11(13)10(6-7)15-3;/h5-6,8,13H,4,12H2,1-3H3;1H/t8-;/m1./s1
InChIKeyROQMOIYMXYPKBX-DDWIOCJRSA-N
XLogP2.24
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776
4-[(1S)-1,3-diaminopropyl]-2,6-dimethoxyphenol
CID 171219296
4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219344
4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol
CID 171219313
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-[(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
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
2-chloro-4-[(1S)-1,2-diaminoethyl]-6-methoxyphenol;hydrochloride
CID 171215335

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride (CID 171199777) is 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride is CC[C@@H](N)c1cc(OC)c(O)c(OC)c1.Cl.
What is the InChIKey of 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride?
The InChIKey is ROQMOIYMXYPKBX-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H17NO3.ClH/c1-4-8(12)7-5-9(14-2)11(13)10(6-7)15-3;/h5-6,8,13H,4,12H2,1-3H3;1H/t8-;/m1./s1.
What are the key properties of 4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride?
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride has a molecular weight of 247.72 g/mol, XLogP of 2.24, 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;hydrochloride is sourced from PubChem (CID 171199777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).