2-(2-amino-N-(2-aminophenyl)anilino)phenol

C18H17N3O — CID 139931825

IUPAC2-(2-amino-N-(2-aminophenyl)anilino)phenol
SMILESNc1ccccc1N(c1ccccc1N)c1ccccc1O
InChIInChI=1S/C18H17N3O/c19-13-7-1-3-9-15(13)21(16-10-4-2-8-14(16)20)17-11-5-6-12-18(17)22/h1-12,22H,19-20H2
InChIKeyUYTPCPBZFORPSG-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.03
Rot. Bonds3

About 2-(2-amino-N-(2-aminophenyl)anilino)phenol

2-(2-amino-N-(2-aminophenyl)anilino)phenol (PubChem CID 139931825) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(2-amino-N-(2-aminophenyl)anilino)phenol.

Molecular Properties

Compound Name2-(2-amino-N-(2-aminophenyl)anilino)phenol
PubChem CID139931825
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-(2-amino-N-(2-aminophenyl)anilino)phenol
SMILESNc1ccccc1N(c1ccccc1N)c1ccccc1O
InChIInChI=1S/C18H17N3O/c19-13-7-1-3-9-15(13)21(16-10-4-2-8-14(16)20)17-11-5-6-12-18(17)22/h1-12,22H,19-20H2
InChIKeyUYTPCPBZFORPSG-UHFFFAOYSA-N
XLogP4.03
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-(2-aminophenyl)anilino)phenol?
The IUPAC name of 2-(2-amino-N-(2-aminophenyl)anilino)phenol (CID 139931825) is 2-(2-amino-N-(2-aminophenyl)anilino)phenol.
What is the SMILES notation for 2-(2-amino-N-(2-aminophenyl)anilino)phenol?
The canonical SMILES for 2-(2-amino-N-(2-aminophenyl)anilino)phenol is Nc1ccccc1N(c1ccccc1N)c1ccccc1O.
What is the InChIKey of 2-(2-amino-N-(2-aminophenyl)anilino)phenol?
The InChIKey is UYTPCPBZFORPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-13-7-1-3-9-15(13)21(16-10-4-2-8-14(16)20)17-11-5-6-12-18(17)22/h1-12,22H,19-20H2.
What are the key properties of 2-(2-amino-N-(2-aminophenyl)anilino)phenol?
2-(2-amino-N-(2-aminophenyl)anilino)phenol has a molecular weight of 291.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-(2-aminophenyl)anilino)phenol is sourced from PubChem (CID 139931825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).