2-(aminomethyl)-4-(4-hydroxyanilino)phenol

C13H14N2O2 — CID 21322803

IUPAC2-(aminomethyl)-4-(4-hydroxyanilino)phenol
SMILESNCc1cc(Nc2ccc(O)cc2)ccc1O
InChIInChI=1S/C13H14N2O2/c14-8-9-7-11(3-6-13(9)17)15-10-1-4-12(16)5-2-10/h1-7,15-17H,8,14H2
InChIKeyBTXVCYNVUMCGEM-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.30
Rot. Bonds3

About 2-(aminomethyl)-4-(4-hydroxyanilino)phenol

2-(aminomethyl)-4-(4-hydroxyanilino)phenol (PubChem CID 21322803) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(4-hydroxyanilino)phenol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(4-hydroxyanilino)phenol
PubChem CID21322803
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(aminomethyl)-4-(4-hydroxyanilino)phenol
SMILESNCc1cc(Nc2ccc(O)cc2)ccc1O
InChIInChI=1S/C13H14N2O2/c14-8-9-7-11(3-6-13(9)17)15-10-1-4-12(16)5-2-10/h1-7,15-17H,8,14H2
InChIKeyBTXVCYNVUMCGEM-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(4-hydroxyanilino)phenol?
The IUPAC name of 2-(aminomethyl)-4-(4-hydroxyanilino)phenol (CID 21322803) is 2-(aminomethyl)-4-(4-hydroxyanilino)phenol.
What is the SMILES notation for 2-(aminomethyl)-4-(4-hydroxyanilino)phenol?
The canonical SMILES for 2-(aminomethyl)-4-(4-hydroxyanilino)phenol is NCc1cc(Nc2ccc(O)cc2)ccc1O.
What is the InChIKey of 2-(aminomethyl)-4-(4-hydroxyanilino)phenol?
The InChIKey is BTXVCYNVUMCGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-8-9-7-11(3-6-13(9)17)15-10-1-4-12(16)5-2-10/h1-7,15-17H,8,14H2.
What are the key properties of 2-(aminomethyl)-4-(4-hydroxyanilino)phenol?
2-(aminomethyl)-4-(4-hydroxyanilino)phenol has a molecular weight of 230.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(4-hydroxyanilino)phenol is sourced from PubChem (CID 21322803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).