(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol

C11H17NO4 — CID 28743465

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

About (1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol

(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol (PubChem CID 28743465) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
PubChem CID28743465
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(OC)c([C@@H](O)CN)cc1OC
InChIInChI=1S/C11H17NO4/c1-14-9-5-11(16-3)10(15-2)4-7(9)8(13)6-12/h4-5,8,13H,6,12H2,1-3H3/t8-/m0/s1
InChIKeyOJIBCXRMXJZCTR-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 (1R)-2-amino-1-(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-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
2-amino-1-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369699
2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol
CID 117360537
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355258
3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 65190714
2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117355259
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
(1R,3S)-3-amino-4,4-dimethyl-1-(2,4,5-trimethoxyphenyl)pentan-1-ol
CID 171236802
2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol
CID 117440336
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol?
The IUPAC name of (1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol (CID 28743465) is (1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol is COc1cc(OC)c([C@@H](O)CN)cc1OC.
What is the InChIKey of (1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol?
The InChIKey is OJIBCXRMXJZCTR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17NO4/c1-14-9-5-11(16-3)10(15-2)4-7(9)8(13)6-12/h4-5,8,13H,6,12H2,1-3H3/t8-/m0/s1.
What are the key properties of (1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol?
(1R)-2-amino-1-(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 (1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol is sourced from PubChem (CID 28743465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).