1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol

C10H15NO4 — CID 170817978

IUPAC1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol
SMILESCOc1ccc(C(O)C(O)CO)cc1N
InChIInChI=1S/C10H15NO4/c1-15-9-3-2-6(4-7(9)11)10(14)8(13)5-12/h2-4,8,10,12-14H,5,11H2,1H3
InChIKeyWGJGCMOJUJLEIH-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.34
Rot. Bonds4

About 1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol

1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol (PubChem CID 170817978) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol
PubChem CID170817978
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol
SMILESCOc1ccc(C(O)C(O)CO)cc1N
InChIInChI=1S/C10H15NO4/c1-15-9-3-2-6(4-7(9)11)10(14)8(13)5-12/h2-4,8,10,12-14H,5,11H2,1H3
InChIKeyWGJGCMOJUJLEIH-UHFFFAOYSA-N
XLogP-0.34
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
CID 170819078
(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 91678444
(1S,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269885
(1R,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269657
1-(4-amino-3-hydroxyphenyl)propane-1,2,3-triol
CID 170817629
1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol
CID 170817963
(1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol
CID 101225308
(S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol
CID 100804164
(R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol
CID 100804058
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol
CID 112513189
1-(3,4-diamino-5-methylphenyl)propane-1,2,3-triol
CID 170817836

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol (CID 170817978) is 1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol is COc1ccc(C(O)C(O)CO)cc1N.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol?
The InChIKey is WGJGCMOJUJLEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-15-9-3-2-6(4-7(9)11)10(14)8(13)5-12/h2-4,8,10,12-14H,5,11H2,1H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol?
1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol has a molecular weight of 213.23 g/mol, XLogP of -0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol is sourced from PubChem (CID 170817978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).