2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride

C11H18ClNO3 — CID 171207080

IUPAC2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride
SMILESCC[C@@H](N)c1c(O)cc(OC)cc1OC.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-4-8(12)11-9(13)5-7(14-2)6-10(11)15-3;/h5-6,8,13H,4,12H2,1-3H3;1H/t8-;/m1./s1
InChIKeyAIYWKZQDBBVOAQ-DDWIOCJRSA-N
MW247.72 g/mol
LogP2.24
Rot. Bonds4

About 2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride

2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride (PubChem CID 171207080) has the molecular formula C11H18ClNO3 and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride
PubChem CID171207080
Molecular FormulaC11H18ClNO3
Molecular Weight247.72 g/mol
Exact Mass247.10
IUPAC Name2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride
SMILESCC[C@@H](N)c1c(O)cc(OC)cc1OC.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-4-8(12)11-9(13)5-7(14-2)6-10(11)15-3;/h5-6,8,13H,4,12H2,1-3H3;1H/t8-;/m1./s1
InChIKeyAIYWKZQDBBVOAQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1,2-diaminoethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207071
2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
CID 171226643
2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207100
2-[(1S)-1-amino-4-hydroxybutyl]-3,5-dimethoxyphenol;hydrochloride
CID 171226703
2-[(1R)-1-amino-3,3-difluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171313729
2-[(1R)-1-aminobut-3-enyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207086
2-[(1S)-1,5-diaminopentyl]-3,5-dimethoxyphenol;hydrochloride
CID 171226651
methyl (3R)-3-amino-3-(2-hydroxy-4,6-dimethoxyphenyl)propanoate;hydrochloride
CID 171248754
2-[(1S)-1-amino-4,4,4-trifluorobutyl]-3,5-dimethoxyphenol
CID 171226671
2-[(1R)-1-amino-2,2-difluoroethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171242035
2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride
CID 171235918
ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-4,6-dimethoxyphenyl)propanoate;hydrochloride
CID 171242047

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride (CID 171207080) is 2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride is CC[C@@H](N)c1c(O)cc(OC)cc1OC.Cl.
What is the InChIKey of 2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride?
The InChIKey is AIYWKZQDBBVOAQ-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H17NO3.ClH/c1-4-8(12)11-9(13)5-7(14-2)6-10(11)15-3;/h5-6,8,13H,4,12H2,1-3H3;1H/t8-;/m1./s1.
What are the key properties of 2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride?
2-[(1R)-1-aminopropyl]-3,5-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 2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride is sourced from PubChem (CID 171207080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).