(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol

C11H17NO4 — CID 66515094

IUPAC(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
SMILESCOc1cc(CO)c([C@@H](N)CO)cc1OC
InChIInChI=1S/C11H17NO4/c1-15-10-3-7(5-13)8(9(12)6-14)4-11(10)16-2/h3-4,9,13-14H,5-6,12H2,1-2H3/t9-/m0/s1
InChIKeyGFGZDMAVSQDBBX-VIFPVBQESA-N
MW227.26 g/mol
LogP0.19
Rot. Bonds5

About (2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol

(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol (PubChem CID 66515094) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
PubChem CID66515094
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
SMILESCOc1cc(CO)c([C@@H](N)CO)cc1OC
InChIInChI=1S/C11H17NO4/c1-15-10-3-7(5-13)8(9(12)6-14)4-11(10)16-2/h3-4,9,13-14H,5-6,12H2,1-2H3/t9-/m0/s1
InChIKeyGFGZDMAVSQDBBX-VIFPVBQESA-N
XLogP0.19
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
2-amino-2-(2,4,5-trimethoxyphenyl)ethanol;oxalic acid
CID 17389866
(2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171198902
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
methyl 2-[(1S)-1-amino-2-hydroxyethyl]-4,5-dimethoxybenzoate
CID 66515274
(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 66510832
2-[(1S)-1-amino-2-hydroxyethyl]-4-methoxy-5-methylphenol
CID 55277131
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386584
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369704

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol?
The IUPAC name of (2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol (CID 66515094) is (2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol is COc1cc(CO)c([C@@H](N)CO)cc1OC.
What is the InChIKey of (2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol?
The InChIKey is GFGZDMAVSQDBBX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17NO4/c1-15-10-3-7(5-13)8(9(12)6-14)4-11(10)16-2/h3-4,9,13-14H,5-6,12H2,1-2H3/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol?
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol has a molecular weight of 227.26 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol is sourced from PubChem (CID 66515094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).