1-(2-amino-3-methoxyphenyl)propane-1,3-diol

C10H15NO3 — CID 105450647

IUPAC1-(2-amino-3-methoxyphenyl)propane-1,3-diol
SMILESCOc1cccc(C(O)CCO)c1N
InChIInChI=1S/C10H15NO3/c1-14-9-4-2-3-7(10(9)11)8(13)5-6-12/h2-4,8,12-13H,5-6,11H2,1H3
InChIKeyZKNQKJKGFJSFCR-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.69
Rot. Bonds4

About 1-(2-amino-3-methoxyphenyl)propane-1,3-diol

1-(2-amino-3-methoxyphenyl)propane-1,3-diol (PubChem CID 105450647) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(2-amino-3-methoxyphenyl)propane-1,3-diol.

Molecular Properties

Compound Name1-(2-amino-3-methoxyphenyl)propane-1,3-diol
PubChem CID105450647
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(2-amino-3-methoxyphenyl)propane-1,3-diol
SMILESCOc1cccc(C(O)CCO)c1N
InChIInChI=1S/C10H15NO3/c1-14-9-4-2-3-7(10(9)11)8(13)5-6-12/h2-4,8,12-13H,5-6,11H2,1H3
InChIKeyZKNQKJKGFJSFCR-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3-methoxyphenyl)butan-1-ol
CID 105449196
1-(2-amino-3-methoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 107469294
1-(2-amino-3-methoxyphenyl)hex-4-yn-1-ol
CID 107469362
1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol
CID 107469515
(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 124565399
3-(2-methoxyphenyl)pentane-1,5-diol
CID 51050570
1-(2-methoxyphenyl)butane-1,2,4-triol
CID 171871923
1-[2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]phenyl]propane-1,3-diol
CID 67760078
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol
CID 83830990
(2-amino-3-methoxyphenyl)-cyclohexylmethanol
CID 105496694
1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 107469320

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxyphenyl)propane-1,3-diol?
The IUPAC name of 1-(2-amino-3-methoxyphenyl)propane-1,3-diol (CID 105450647) is 1-(2-amino-3-methoxyphenyl)propane-1,3-diol.
What is the SMILES notation for 1-(2-amino-3-methoxyphenyl)propane-1,3-diol?
The canonical SMILES for 1-(2-amino-3-methoxyphenyl)propane-1,3-diol is COc1cccc(C(O)CCO)c1N.
What is the InChIKey of 1-(2-amino-3-methoxyphenyl)propane-1,3-diol?
The InChIKey is ZKNQKJKGFJSFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-14-9-4-2-3-7(10(9)11)8(13)5-6-12/h2-4,8,12-13H,5-6,11H2,1H3.
What are the key properties of 1-(2-amino-3-methoxyphenyl)propane-1,3-diol?
1-(2-amino-3-methoxyphenyl)propane-1,3-diol has a molecular weight of 197.23 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxyphenyl)propane-1,3-diol is sourced from PubChem (CID 105450647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).