(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol

C11H17NO4 — CID 42579797

IUPAC(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](N)CO)c(OC)c1OC
InChIInChI=1S/C11H17NO4/c1-14-9-5-4-7(8(12)6-13)10(15-2)11(9)16-3/h4-5,8,13H,6,12H2,1-3H3/t8-/m0/s1
InChIKeyCGKPRQZPBUBYGT-QMMMGPOBSA-N
MW227.26 g/mol
LogP0.70
Rot. Bonds5

About (2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol

(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol (PubChem CID 42579797) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
PubChem CID42579797
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](N)CO)c(OC)c1OC
InChIInChI=1S/C11H17NO4/c1-14-9-5-4-7(8(12)6-13)10(15-2)11(9)16-3/h4-5,8,13H,6,12H2,1-3H3/t8-/m0/s1
InChIKeyCGKPRQZPBUBYGT-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

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Related Compounds

2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
(3S)-3-amino-3-(2,3,4-trimethoxyphenyl)propanamide
CID 29059945
(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 171199872
2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol
CID 77130049
(1S)-3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-amine;hydrochloride
CID 171219378
4,4-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 115850047
(1S)-1-(2,3,4-trimethoxyphenyl)hexan-1-amine;hydrochloride
CID 171219374
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
CID 117310235
5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid
CID 62942194
2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine
CID 43635853

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol (CID 42579797) is (2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol is COc1ccc([C@@H](N)CO)c(OC)c1OC.
What is the InChIKey of (2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol?
The InChIKey is CGKPRQZPBUBYGT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17NO4/c1-14-9-5-4-7(8(12)6-13)10(15-2)11(9)16-3/h4-5,8,13H,6,12H2,1-3H3/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol?
(2R)-2-amino-2-(2,3,4-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-(2,3,4-trimethoxyphenyl)ethanol is sourced from PubChem (CID 42579797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).