3-(2-amino-5-methoxyphenoxy)propane-1,2-diol

C10H15NO4 — CID 102702275

IUPAC3-(2-amino-5-methoxyphenoxy)propane-1,2-diol
SMILESCOc1ccc(N)c(OCC(O)CO)c1
InChIInChI=1S/C10H15NO4/c1-14-8-2-3-9(11)10(4-8)15-6-7(13)5-12/h2-4,7,12-13H,5-6,11H2,1H3
InChIKeyFVQSPEPMOHGJAW-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.01
Rot. Bonds5

About 3-(2-amino-5-methoxyphenoxy)propane-1,2-diol

3-(2-amino-5-methoxyphenoxy)propane-1,2-diol (PubChem CID 102702275) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(2-amino-5-methoxyphenoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-amino-5-methoxyphenoxy)propane-1,2-diol
PubChem CID102702275
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-(2-amino-5-methoxyphenoxy)propane-1,2-diol
SMILESCOc1ccc(N)c(OCC(O)CO)c1
InChIInChI=1S/C10H15NO4/c1-14-8-2-3-9(11)10(4-8)15-6-7(13)5-12/h2-4,7,12-13H,5-6,11H2,1H3
InChIKeyFVQSPEPMOHGJAW-UHFFFAOYSA-N
XLogP0.01
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154089660
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
CID 82850808
3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol
CID 82843216
(2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol
CID 124673411
3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 82850992
3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849319
3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol
CID 82850774
3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
CID 82842415
5-(2-amino-5-methoxyphenoxy)pentan-1-ol
CID 102702306
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
3-(2-amino-5-methoxyphenoxy)propanoic acid
CID 102702334
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methoxyphenoxy)propane-1,2-diol?
The IUPAC name of 3-(2-amino-5-methoxyphenoxy)propane-1,2-diol (CID 102702275) is 3-(2-amino-5-methoxyphenoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2-amino-5-methoxyphenoxy)propane-1,2-diol?
The canonical SMILES for 3-(2-amino-5-methoxyphenoxy)propane-1,2-diol is COc1ccc(N)c(OCC(O)CO)c1.
What is the InChIKey of 3-(2-amino-5-methoxyphenoxy)propane-1,2-diol?
The InChIKey is FVQSPEPMOHGJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-14-8-2-3-9(11)10(4-8)15-6-7(13)5-12/h2-4,7,12-13H,5-6,11H2,1H3.
What are the key properties of 3-(2-amino-5-methoxyphenoxy)propane-1,2-diol?
3-(2-amino-5-methoxyphenoxy)propane-1,2-diol has a molecular weight of 213.23 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methoxyphenoxy)propane-1,2-diol is sourced from PubChem (CID 102702275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).