(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol

C11H17NO4 — CID 42579772

IUPAC(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(OC)c([C@@H](N)CO)cc1OC
InChIInChI=1S/C11H17NO4/c1-14-9-5-11(16-3)10(15-2)4-7(9)8(12)6-13/h4-5,8,13H,6,12H2,1-3H3/t8-/m0/s1
InChIKeyKIVMRYBXFYLBAP-QMMMGPOBSA-N
MW227.26 g/mol
LogP0.70
Rot. Bonds5

About (2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol

(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol (PubChem CID 42579772) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
PubChem CID42579772
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(OC)c([C@@H](N)CO)cc1OC
InChIInChI=1S/C11H17NO4/c1-14-9-5-11(16-3)10(15-2)4-7(9)8(12)6-13/h4-5,8,13H,6,12H2,1-3H3/t8-/m0/s1
InChIKeyKIVMRYBXFYLBAP-QMMMGPOBSA-N
XLogP0.70
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol 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

2-amino-2-(2,4,5-trimethoxyphenyl)ethanol;oxalic acid
CID 17389866
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369704
(2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 66516031
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
CID 66515094
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386584
(2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171198902
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 66514299
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol (CID 42579772) is (2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol is COc1cc(OC)c([C@@H](N)CO)cc1OC.
What is the InChIKey of (2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol?
The InChIKey is KIVMRYBXFYLBAP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17NO4/c1-14-9-5-11(16-3)10(15-2)4-7(9)8(12)6-13/h4-5,8,13H,6,12H2,1-3H3/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol?
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol has a molecular weight of 227.26 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol is sourced from PubChem (CID 42579772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).