(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride

C10H16ClNO3 — CID 163203583

IUPAC(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc([C@@H](O)CN)cc1OC.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2;/h3-5,8,12H,6,11H2,1-2H3;1H/t8-;/m0./s1
InChIKeyDZOXFFYCHQDIOZ-QRPNPIFTSA-N
MW233.69 g/mol
LogP1.12
Rot. Bonds4

About (1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride

(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride (PubChem CID 163203583) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is (1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
PubChem CID163203583
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc([C@@H](O)CN)cc1OC.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2;/h3-5,8,12H,6,11H2,1-2H3;1H/t8-;/m0./s1
InChIKeyDZOXFFYCHQDIOZ-QRPNPIFTSA-N
XLogP1.12
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;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

(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
2-amino-1-[3-(1,1-dioxothietan-3-yl)oxy-4-methoxyphenyl]ethanol
CID 117463616
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
(1S,3R)-3-amino-1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237411
(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 95441222
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride?
The IUPAC name of (1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride (CID 163203583) is (1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for (1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for (1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride is COc1ccc([C@@H](O)CN)cc1OC.Cl.
What is the InChIKey of (1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride?
The InChIKey is DZOXFFYCHQDIOZ-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H15NO3.ClH/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2;/h3-5,8,12H,6,11H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of (1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride?
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 163203583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).