2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline

C23H28N4O2 — CID 143641437

IUPAC2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline
SMILESCNc1ccc(N2CCOCC2)cc1.Nc1cccc(-c2cccc(N)c2O)c1
InChIInChI=1S/C12H12N2O.C11H16N2O/c13-9-4-1-3-8(7-9)10-5-2-6-11(14)12(10)15;1-12-10-2-4-11(5-3-10)13-6-8-14-9-7-13/h1-7,15H,13-14H2;2-5,12H,6-9H2,1H3
InChIKeyJKKFOTQDVJBYCS-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.79
Rot. Bonds3

About 2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline

2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline (PubChem CID 143641437) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline.

Molecular Properties

Compound Name2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline
PubChem CID143641437
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline
SMILESCNc1ccc(N2CCOCC2)cc1.Nc1cccc(-c2cccc(N)c2O)c1
InChIInChI=1S/C12H12N2O.C11H16N2O/c13-9-4-1-3-8(7-9)10-5-2-6-11(14)12(10)15;1-12-10-2-4-11(5-3-10)13-6-8-14-9-7-13/h1-7,15H,13-14H2;2-5,12H,6-9H2,1H3
InChIKeyJKKFOTQDVJBYCS-UHFFFAOYSA-N
XLogP3.79
TPSA96.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline?
The IUPAC name of 2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline (CID 143641437) is 2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline.
What is the SMILES notation for 2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline?
The canonical SMILES for 2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline is CNc1ccc(N2CCOCC2)cc1.Nc1cccc(-c2cccc(N)c2O)c1.
What is the InChIKey of 2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline?
The InChIKey is JKKFOTQDVJBYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C11H16N2O/c13-9-4-1-3-8(7-9)10-5-2-6-11(14)12(10)15;1-12-10-2-4-11(5-3-10)13-6-8-14-9-7-13/h1-7,15H,13-14H2;2-5,12H,6-9H2,1H3.
What are the key properties of 2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline?
2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline has a molecular weight of 392.50 g/mol, XLogP of 3.79, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline is sourced from PubChem (CID 143641437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).