3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol

C10H15NO3 — CID 22872523

IUPAC3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol
SMILESCCOc1c(O)cccc1[C@@H](O)CN
InChIInChI=1S/C10H15NO3/c1-2-14-10-7(9(13)6-11)4-3-5-8(10)12/h3-5,9,12-13H,2,6,11H2,1H3/t9-/m0/s1
InChIKeyYXLOWGFXBQAJAN-VIFPVBQESA-N
MW197.23 g/mol
LogP0.78
Rot. Bonds4

About 3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol

3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol (PubChem CID 22872523) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol.

Molecular Properties

Compound Name3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol
PubChem CID22872523
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol
SMILESCCOc1c(O)cccc1[C@@H](O)CN
InChIInChI=1S/C10H15NO3/c1-2-14-10-7(9(13)6-11)4-3-5-8(10)12/h3-5,9,12-13H,2,6,11H2,1H3/t9-/m0/s1
InChIKeyYXLOWGFXBQAJAN-VIFPVBQESA-N
XLogP0.78
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1-hydroxyethyl)-3-ethoxyphenol
CID 18627913
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
6-amino-5-ethoxynaphthalen-1-ol
CID 130017949
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
(1R)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242447
4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol
CID 84785759
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449
2-(3-amino-2-hydroxypropoxy)-3-methylphenol
CID 143628110
2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol
CID 83893998
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate
CID 11183417
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol?
The IUPAC name of 3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol (CID 22872523) is 3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol.
What is the SMILES notation for 3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol?
The canonical SMILES for 3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol is CCOc1c(O)cccc1[C@@H](O)CN.
What is the InChIKey of 3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol?
The InChIKey is YXLOWGFXBQAJAN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-14-10-7(9(13)6-11)4-3-5-8(10)12/h3-5,9,12-13H,2,6,11H2,1H3/t9-/m0/s1.
What are the key properties of 3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol?
3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol has a molecular weight of 197.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol is sourced from PubChem (CID 22872523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).