2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride

C11H18ClNO3 — CID 171216328

IUPAC2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cccc(O)c1[C@H](N)CCCO.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-15-10-6-2-5-9(14)11(10)8(12)4-3-7-13;/h2,5-6,8,13-14H,3-4,7,12H2,1H3;1H/t8-;/m1./s1
InChIKeyYFKSRIYKXVVKMV-DDWIOCJRSA-N
MW247.72 g/mol
LogP1.59
Rot. Bonds5

About 2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride

2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride (PubChem CID 171216328) has the molecular formula C11H18ClNO3 and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride
PubChem CID171216328
Molecular FormulaC11H18ClNO3
Molecular Weight247.72 g/mol
Exact Mass247.10
IUPAC Name2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cccc(O)c1[C@H](N)CCCO.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-15-10-6-2-5-9(14)11(10)8(12)4-3-7-13;/h2,5-6,8,13-14H,3-4,7,12H2,1H3;1H/t8-;/m1./s1
InChIKeyYFKSRIYKXVVKMV-DDWIOCJRSA-N
XLogP1.59
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride
CID 171216291
2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
CID 77129655
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171201207
2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride
CID 171235918
2-[(1S)-1-amino-4-hydroxybutyl]-3,5-dimethoxyphenol;hydrochloride
CID 171226703
2-[(1S)-1-aminopent-4-enyl]-3-methoxyphenol
CID 171235946
2-[(1S)-1-aminobut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171235923
(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol
CID 171201068
4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199826
2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol
CID 171216296
4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol
CID 171200778
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride (CID 171216328) is 2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride is COc1cccc(O)c1[C@H](N)CCCO.Cl.
What is the InChIKey of 2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride?
The InChIKey is YFKSRIYKXVVKMV-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H17NO3.ClH/c1-15-10-6-2-5-9(14)11(10)8(12)4-3-7-13;/h2,5-6,8,13-14H,3-4,7,12H2,1H3;1H/t8-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride?
2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride has a molecular weight of 247.72 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride is sourced from PubChem (CID 171216328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).