2-(3-amino-2-hydroxypropoxy)-3-methylphenol

C10H15NO3 — CID 143628110

IUPAC2-(3-amino-2-hydroxypropoxy)-3-methylphenol
SMILESCc1cccc(O)c1OCC(O)CN
InChIInChI=1S/C10H15NO3/c1-7-3-2-4-9(13)10(7)14-6-8(12)5-11/h2-4,8,12-13H,5-6,11H2,1H3
InChIKeyHXWQXWMVXXTQPZ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.40
Rot. Bonds4

About 2-(3-amino-2-hydroxypropoxy)-3-methylphenol

2-(3-amino-2-hydroxypropoxy)-3-methylphenol (PubChem CID 143628110) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(3-amino-2-hydroxypropoxy)-3-methylphenol.

Molecular Properties

Compound Name2-(3-amino-2-hydroxypropoxy)-3-methylphenol
PubChem CID143628110
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(3-amino-2-hydroxypropoxy)-3-methylphenol
SMILESCc1cccc(O)c1OCC(O)CN
InChIInChI=1S/C10H15NO3/c1-7-3-2-4-9(13)10(7)14-6-8(12)5-11/h2-4,8,12-13H,5-6,11H2,1H3
InChIKeyHXWQXWMVXXTQPZ-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(2,6-dimethylphenoxy)propan-2-ol;chloride;hydrate
CID 53314058
1-(2,6-dimethylphenoxy)-3-[4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 23739744
[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-dimethyl-propan-2-ylazanium
CID 3064892
1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol
CID 59761721
[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-dimethyl-propan-2-ylazanium iodide
CID 3064891
1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol
CID 112607256
3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol
CID 112612371
ethane;3-methyl-2-propoxyphenol
CID 143473467
1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol
CID 43531485
1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol
CID 60903981
1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol
CID 82395060
1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 163771819

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-hydroxypropoxy)-3-methylphenol?
The IUPAC name of 2-(3-amino-2-hydroxypropoxy)-3-methylphenol (CID 143628110) is 2-(3-amino-2-hydroxypropoxy)-3-methylphenol.
What is the SMILES notation for 2-(3-amino-2-hydroxypropoxy)-3-methylphenol?
The canonical SMILES for 2-(3-amino-2-hydroxypropoxy)-3-methylphenol is Cc1cccc(O)c1OCC(O)CN.
What is the InChIKey of 2-(3-amino-2-hydroxypropoxy)-3-methylphenol?
The InChIKey is HXWQXWMVXXTQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-3-2-4-9(13)10(7)14-6-8(12)5-11/h2-4,8,12-13H,5-6,11H2,1H3.
What are the key properties of 2-(3-amino-2-hydroxypropoxy)-3-methylphenol?
2-(3-amino-2-hydroxypropoxy)-3-methylphenol has a molecular weight of 197.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-hydroxypropoxy)-3-methylphenol is sourced from PubChem (CID 143628110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).