4-amino-2-[(3-hydroxyanilino)methyl]phenol

C13H14N2O2 — CID 18356589

IUPAC4-amino-2-[(3-hydroxyanilino)methyl]phenol
SMILESNc1ccc(O)c(CNc2cccc(O)c2)c1
InChIInChI=1S/C13H14N2O2/c14-10-4-5-13(17)9(6-10)8-15-11-2-1-3-12(16)7-11/h1-7,15-17H,8,14H2
InChIKeyOHXFBKCOECVUPQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.29
Rot. Bonds3

About 4-amino-2-[(3-hydroxyanilino)methyl]phenol

4-amino-2-[(3-hydroxyanilino)methyl]phenol (PubChem CID 18356589) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-amino-2-[(3-hydroxyanilino)methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[(3-hydroxyanilino)methyl]phenol
PubChem CID18356589
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-amino-2-[(3-hydroxyanilino)methyl]phenol
SMILESNc1ccc(O)c(CNc2cccc(O)c2)c1
InChIInChI=1S/C13H14N2O2/c14-10-4-5-13(17)9(6-10)8-15-11-2-1-3-12(16)7-11/h1-7,15-17H,8,14H2
InChIKeyOHXFBKCOECVUPQ-UHFFFAOYSA-N
XLogP2.29
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-hydroxyanilino)methyl]phenol?
The IUPAC name of 4-amino-2-[(3-hydroxyanilino)methyl]phenol (CID 18356589) is 4-amino-2-[(3-hydroxyanilino)methyl]phenol.
What is the SMILES notation for 4-amino-2-[(3-hydroxyanilino)methyl]phenol?
The canonical SMILES for 4-amino-2-[(3-hydroxyanilino)methyl]phenol is Nc1ccc(O)c(CNc2cccc(O)c2)c1.
What is the InChIKey of 4-amino-2-[(3-hydroxyanilino)methyl]phenol?
The InChIKey is OHXFBKCOECVUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-10-4-5-13(17)9(6-10)8-15-11-2-1-3-12(16)7-11/h1-7,15-17H,8,14H2.
What are the key properties of 4-amino-2-[(3-hydroxyanilino)methyl]phenol?
4-amino-2-[(3-hydroxyanilino)methyl]phenol has a molecular weight of 230.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-hydroxyanilino)methyl]phenol is sourced from PubChem (CID 18356589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).