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

C12H20ClNO4 — CID 171199826

IUPAC4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride
SMILESCOc1cc([C@H](N)CCCO)cc(OC)c1O.Cl
InChIInChI=1S/C12H19NO4.ClH/c1-16-10-6-8(9(13)4-3-5-14)7-11(17-2)12(10)15;/h6-7,9,14-15H,3-5,13H2,1-2H3;1H/t9-;/m1./s1
InChIKeySWHUGDVQNUGPOH-SBSPUUFOSA-N
MW277.75 g/mol
LogP1.60
Rot. Bonds6

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

4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride (PubChem CID 171199826) has the molecular formula C12H20ClNO4 and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride
PubChem CID171199826
Molecular FormulaC12H20ClNO4
Molecular Weight277.75 g/mol
Exact Mass277.11
IUPAC Name4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride
SMILESCOc1cc([C@H](N)CCCO)cc(OC)c1O.Cl
InChIInChI=1S/C12H19NO4.ClH/c1-16-10-6-8(9(13)4-3-5-14)7-11(17-2)12(10)15;/h6-7,9,14-15H,3-5,13H2,1-2H3;1H/t9-;/m1./s1
InChIKeySWHUGDVQNUGPOH-SBSPUUFOSA-N
XLogP1.60
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-amino-4-(4-bromo-3,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171202296
4-[(1R)-1,4-diaminobutyl]-2,6-dimethoxyphenol
CID 171199771
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-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776
4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol
CID 171226166
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171225064
(4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171205490
(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171205896
(4S)-4-amino-4-(4-chloro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171230755

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride (CID 171199826) is 4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride is COc1cc([C@H](N)CCCO)cc(OC)c1O.Cl.
What is the InChIKey of 4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride?
The InChIKey is SWHUGDVQNUGPOH-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H19NO4.ClH/c1-16-10-6-8(9(13)4-3-5-14)7-11(17-2)12(10)15;/h6-7,9,14-15H,3-5,13H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of 4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride?
4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride has a molecular weight of 277.75 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride is sourced from PubChem (CID 171199826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).