2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol

C14H15NO2 — CID 54515900

IUPAC2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol
SMILESNc1cccc(CCc2cc(O)ccc2O)c1
InChIInChI=1S/C14H15NO2/c15-12-3-1-2-10(8-12)4-5-11-9-13(16)6-7-14(11)17/h1-3,6-9,16-17H,4-5,15H2
InChIKeyYMJTVOGXEIIBPS-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.47
Rot. Bonds3

About 2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol

2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol (PubChem CID 54515900) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol
PubChem CID54515900
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol
SMILESNc1cccc(CCc2cc(O)ccc2O)c1
InChIInChI=1S/C14H15NO2/c15-12-3-1-2-10(8-12)4-5-11-9-13(16)6-7-14(11)17/h1-3,6-9,16-17H,4-5,15H2
InChIKeyYMJTVOGXEIIBPS-UHFFFAOYSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol?
The IUPAC name of 2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol (CID 54515900) is 2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol is Nc1cccc(CCc2cc(O)ccc2O)c1.
What is the InChIKey of 2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol?
The InChIKey is YMJTVOGXEIIBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c15-12-3-1-2-10(8-12)4-5-11-9-13(16)6-7-14(11)17/h1-3,6-9,16-17H,4-5,15H2.
What are the key properties of 2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol?
2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol has a molecular weight of 229.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminophenyl)ethyl]benzene-1,4-diol is sourced from PubChem (CID 54515900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).