3-(4-amino-2-methoxyphenoxy)propane-1,2-diol

C10H15NO4 — CID 82842415

IUPAC3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
SMILESCOc1cc(N)ccc1OCC(O)CO
InChIInChI=1S/C10H15NO4/c1-14-10-4-7(11)2-3-9(10)15-6-8(13)5-12/h2-4,8,12-13H,5-6,11H2,1H3
InChIKeyUXERYUBYFNMRRN-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.01
Rot. Bonds5

About 3-(4-amino-2-methoxyphenoxy)propane-1,2-diol

3-(4-amino-2-methoxyphenoxy)propane-1,2-diol (PubChem CID 82842415) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(4-amino-2-methoxyphenoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
PubChem CID82842415
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
SMILESCOc1cc(N)ccc1OCC(O)CO
InChIInChI=1S/C10H15NO4/c1-14-10-4-7(11)2-3-9(10)15-6-8(13)5-12/h2-4,8,12-13H,5-6,11H2,1H3
InChIKeyUXERYUBYFNMRRN-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

(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
1-(4-amino-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154192524
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
CID 82851067
3-(5-amino-2-bromophenoxy)propane-1,2-diol
CID 103008699
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
CID 20839076
3-(4-amino-2-methoxyphenoxy)propan-1-ol
CID 21422985
3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849672
3-(2-amino-5-methoxyphenoxy)propane-1,2-diol
CID 102702275
3-(4-amino-2-methoxyphenyl)sulfanylpropane-1,2-diol
CID 82849724
3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol
CID 82843216
3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde
CID 82849933

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-methoxyphenoxy)propane-1,2-diol?
The IUPAC name of 3-(4-amino-2-methoxyphenoxy)propane-1,2-diol (CID 82842415) is 3-(4-amino-2-methoxyphenoxy)propane-1,2-diol.
What is the SMILES notation for 3-(4-amino-2-methoxyphenoxy)propane-1,2-diol?
The canonical SMILES for 3-(4-amino-2-methoxyphenoxy)propane-1,2-diol is COc1cc(N)ccc1OCC(O)CO.
What is the InChIKey of 3-(4-amino-2-methoxyphenoxy)propane-1,2-diol?
The InChIKey is UXERYUBYFNMRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-14-10-4-7(11)2-3-9(10)15-6-8(13)5-12/h2-4,8,12-13H,5-6,11H2,1H3.
What are the key properties of 3-(4-amino-2-methoxyphenoxy)propane-1,2-diol?
3-(4-amino-2-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-(4-amino-2-methoxyphenoxy)propane-1,2-diol is sourced from PubChem (CID 82842415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).