4-(1-anilinoethyl)benzene-1,3-diol

C14H15NO2 — CID 43189993

IUPAC4-(1-anilinoethyl)benzene-1,3-diol
SMILESCC(Nc1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C14H15NO2/c1-10(15-11-5-3-2-4-6-11)13-8-7-12(16)9-14(13)17/h2-10,15-17H,1H3
InChIKeyLVYXLYCLASBNAC-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.27
Rot. Bonds3

About 4-(1-anilinoethyl)benzene-1,3-diol

4-(1-anilinoethyl)benzene-1,3-diol (PubChem CID 43189993) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(1-anilinoethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(1-anilinoethyl)benzene-1,3-diol
PubChem CID43189993
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-(1-anilinoethyl)benzene-1,3-diol
SMILESCC(Nc1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C14H15NO2/c1-10(15-11-5-3-2-4-6-11)13-8-7-12(16)9-14(13)17/h2-10,15-17H,1H3
InChIKeyLVYXLYCLASBNAC-UHFFFAOYSA-N
XLogP3.27
TPSA52.49 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 ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol
CID 43540011
4-[1-(3,5-dichloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107572336
4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol
CID 43195633
4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol
CID 60924783
4-(1-hydrazinylethyl)benzene-1,3-diol
CID 53402211
4-[1-[(2-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 114331579
4-[1-(2,3,5,6-tetrafluoroanilino)ethyl]benzene-1,3-diol
CID 107643564
4-(1-phenylethyl)benzene-1,3-diol
CID 11171903
4-[(1R)-1-phenylethyl]benzene-1,3-diol
CID 139072584
4-[1-[3-chloro-4-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 60935121
4-[1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]benzene-1,3-diol
CID 81379941
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646

Frequently Asked Questions

What is the IUPAC name of 4-(1-anilinoethyl)benzene-1,3-diol?
The IUPAC name of 4-(1-anilinoethyl)benzene-1,3-diol (CID 43189993) is 4-(1-anilinoethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(1-anilinoethyl)benzene-1,3-diol?
The canonical SMILES for 4-(1-anilinoethyl)benzene-1,3-diol is CC(Nc1ccccc1)c1ccc(O)cc1O.
What is the InChIKey of 4-(1-anilinoethyl)benzene-1,3-diol?
The InChIKey is LVYXLYCLASBNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10(15-11-5-3-2-4-6-11)13-8-7-12(16)9-14(13)17/h2-10,15-17H,1H3.
What are the key properties of 4-(1-anilinoethyl)benzene-1,3-diol?
4-(1-anilinoethyl)benzene-1,3-diol has a molecular weight of 229.28 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-anilinoethyl)benzene-1,3-diol is sourced from PubChem (CID 43189993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).