2-aminophenol;2-(2-aminophenoxy)aniline

C18H19N3O2 — CID 174452334

IUPAC2-aminophenol;2-(2-aminophenoxy)aniline
SMILESNc1ccccc1O.Nc1ccccc1Oc1ccccc1N
InChIInChI=1S/C12H12N2O.C6H7NO/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;7-5-3-1-2-4-6(5)8/h1-8H,13-14H2;1-4,8H,7H2
InChIKeyDBHNHTAUFYENKR-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.62
Rot. Bonds2

About 2-aminophenol;2-(2-aminophenoxy)aniline

2-aminophenol;2-(2-aminophenoxy)aniline (PubChem CID 174452334) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-aminophenol;2-(2-aminophenoxy)aniline.

Molecular Properties

Compound Name2-aminophenol;2-(2-aminophenoxy)aniline
PubChem CID174452334
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-aminophenol;2-(2-aminophenoxy)aniline
SMILESNc1ccccc1O.Nc1ccccc1Oc1ccccc1N
InChIInChI=1S/C12H12N2O.C6H7NO/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;7-5-3-1-2-4-6(5)8/h1-8H,13-14H2;1-4,8H,7H2
InChIKeyDBHNHTAUFYENKR-UHFFFAOYSA-N
XLogP3.62
TPSA107.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
sodium 2-aminophenol
CID 18764426
2-aminophenol;azane
CID 159865141
2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
2-aminophenol;ethane;methane
CID 158189798
CID 175422466
CID 175422466
2-[2-(2-aminophenoxy)phenyl]acetic acid
CID 13409453
2-(2-hydroxyphenoxy)phenol;phosphane
CID 174791785
2-(2-amino-4-chlorophenoxy)phenol
CID 130156009
2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride
CID 50944455
4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737
4-(2-aminophenoxy)-3-chloroaniline
CID 66486738

Frequently Asked Questions

What is the IUPAC name of 2-aminophenol;2-(2-aminophenoxy)aniline?
The IUPAC name of 2-aminophenol;2-(2-aminophenoxy)aniline (CID 174452334) is 2-aminophenol;2-(2-aminophenoxy)aniline.
What is the SMILES notation for 2-aminophenol;2-(2-aminophenoxy)aniline?
The canonical SMILES for 2-aminophenol;2-(2-aminophenoxy)aniline is Nc1ccccc1O.Nc1ccccc1Oc1ccccc1N.
What is the InChIKey of 2-aminophenol;2-(2-aminophenoxy)aniline?
The InChIKey is DBHNHTAUFYENKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C6H7NO/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;7-5-3-1-2-4-6(5)8/h1-8H,13-14H2;1-4,8H,7H2.
What are the key properties of 2-aminophenol;2-(2-aminophenoxy)aniline?
2-aminophenol;2-(2-aminophenoxy)aniline has a molecular weight of 309.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminophenol;2-(2-aminophenoxy)aniline is sourced from PubChem (CID 174452334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).