2-(2-amino-1-hydroxyethyl)-6-methoxyphenol

C9H13NO3 — CID 16768128

IUPAC2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
SMILESCOc1cccc(C(O)CN)c1O
InChIInChI=1S/C9H13NO3/c1-13-8-4-2-3-6(9(8)12)7(11)5-10/h2-4,7,11-12H,5,10H2,1H3
InChIKeyMXJGMRFKOPOTFU-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.39
Rot. Bonds3

About 2-(2-amino-1-hydroxyethyl)-6-methoxyphenol

2-(2-amino-1-hydroxyethyl)-6-methoxyphenol (PubChem CID 16768128) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxyethyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
PubChem CID16768128
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
SMILESCOc1cccc(C(O)CN)c1O
InChIInChI=1S/C9H13NO3/c1-13-8-4-2-3-6(9(8)12)7(11)5-10/h2-4,7,11-12H,5,10H2,1H3
InChIKeyMXJGMRFKOPOTFU-UHFFFAOYSA-N
XLogP0.39
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol
CID 83930686
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 22339835
5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol
CID 112718404
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1R)-1-aminobutyl]-6-methoxyphenol
CID 171212277
2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol
CID 83909620
2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol
CID 82041916
2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol
CID 10039695
2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol
CID 131557071
3-(2-hydroxy-3-methoxyphenyl)butanal
CID 83830642

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxyethyl)-6-methoxyphenol?
The IUPAC name of 2-(2-amino-1-hydroxyethyl)-6-methoxyphenol (CID 16768128) is 2-(2-amino-1-hydroxyethyl)-6-methoxyphenol.
What is the SMILES notation for 2-(2-amino-1-hydroxyethyl)-6-methoxyphenol?
The canonical SMILES for 2-(2-amino-1-hydroxyethyl)-6-methoxyphenol is COc1cccc(C(O)CN)c1O.
What is the InChIKey of 2-(2-amino-1-hydroxyethyl)-6-methoxyphenol?
The InChIKey is MXJGMRFKOPOTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-13-8-4-2-3-6(9(8)12)7(11)5-10/h2-4,7,11-12H,5,10H2,1H3.
What are the key properties of 2-(2-amino-1-hydroxyethyl)-6-methoxyphenol?
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol has a molecular weight of 183.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-hydroxyethyl)-6-methoxyphenol is sourced from PubChem (CID 16768128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).