2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol

C14H16N2O2 — CID 174612907

IUPAC2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol
SMILESCCc1c(-c2ccc(N)cc2)cc(O)c(N)c1O
InChIInChI=1S/C14H16N2O2/c1-2-10-11(7-12(17)13(16)14(10)18)8-3-5-9(15)6-4-8/h3-7,17-18H,2,15-16H2,1H3
InChIKeyCHXQPIXCHPPACH-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.49
Rot. Bonds2

About 2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol

2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol (PubChem CID 174612907) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol.

Molecular Properties

Compound Name2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol
PubChem CID174612907
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol
SMILESCCc1c(-c2ccc(N)cc2)cc(O)c(N)c1O
InChIInChI=1S/C14H16N2O2/c1-2-10-11(7-12(17)13(16)14(10)18)8-3-5-9(15)6-4-8/h3-7,17-18H,2,15-16H2,1H3
InChIKeyCHXQPIXCHPPACH-UHFFFAOYSA-N
XLogP2.49
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol?
The IUPAC name of 2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol (CID 174612907) is 2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol.
What is the SMILES notation for 2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol?
The canonical SMILES for 2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol is CCc1c(-c2ccc(N)cc2)cc(O)c(N)c1O.
What is the InChIKey of 2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol?
The InChIKey is CHXQPIXCHPPACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-10-11(7-12(17)13(16)14(10)18)8-3-5-9(15)6-4-8/h3-7,17-18H,2,15-16H2,1H3.
What are the key properties of 2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol?
2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol has a molecular weight of 244.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-aminophenyl)-4-ethylbenzene-1,3-diol is sourced from PubChem (CID 174612907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).