4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol

C19H19N3O — CID 122531775

IUPAC4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol
SMILESCCc1c(-c2cccc(N)c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C19H19N3O/c1-2-16-17(13-4-3-5-14(20)10-13)11-22-19(21)18(16)12-6-8-15(23)9-7-12/h3-11,23H,2,20H2,1H3,(H2,21,22)
InChIKeyADPOBAMFHZFYGM-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.85
Rot. Bonds3

About 4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol

4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol (PubChem CID 122531775) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol
PubChem CID122531775
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol
SMILESCCc1c(-c2cccc(N)c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C19H19N3O/c1-2-16-17(13-4-3-5-14(20)10-13)11-22-19(21)18(16)12-6-8-15(23)9-7-12/h3-11,23H,2,20H2,1H3,(H2,21,22)
InChIKeyADPOBAMFHZFYGM-UHFFFAOYSA-N
XLogP3.85
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.85
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 4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol?
The IUPAC name of 4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol (CID 122531775) is 4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol.
What is the SMILES notation for 4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol?
The canonical SMILES for 4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol is CCc1c(-c2cccc(N)c2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol?
The InChIKey is ADPOBAMFHZFYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-16-17(13-4-3-5-14(20)10-13)11-22-19(21)18(16)12-6-8-15(23)9-7-12/h3-11,23H,2,20H2,1H3,(H2,21,22).
What are the key properties of 4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol?
4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol has a molecular weight of 305.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol is sourced from PubChem (CID 122531775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).