2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride

C10H16ClNO3 — CID 162344444

IUPAC2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc(C(N)CO)c(OC)c1.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-13-7-3-4-8(9(11)6-12)10(5-7)14-2;/h3-5,9,12H,6,11H2,1-2H3;1H
InChIKeyREHHXCUVCHMISX-UHFFFAOYSA-N
MW233.69 g/mol
LogP1.12
Rot. Bonds4

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

2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride (PubChem CID 162344444) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is 2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
PubChem CID162344444
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc(C(N)CO)c(OC)c1.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-13-7-3-4-8(9(11)6-12)10(5-7)14-2;/h3-5,9,12H,6,11H2,1-2H3;1H
InChIKeyREHHXCUVCHMISX-UHFFFAOYSA-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

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Related Compounds

4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
(2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171236237
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171224919
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171312907
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride?
The IUPAC name of 2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride (CID 162344444) is 2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride is COc1ccc(C(N)CO)c(OC)c1.Cl.
What is the InChIKey of 2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride?
The InChIKey is REHHXCUVCHMISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3.ClH/c1-13-7-3-4-8(9(11)6-12)10(5-7)14-2;/h3-5,9,12H,6,11H2,1-2H3;1H.
What are the key properties of 2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride?
2-amino-2-(2,4-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 2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 162344444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).