4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol

C17H15NO2 — CID 43680262

IUPAC4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol
SMILESOc1ccc(CNc2ccc3ccccc3c2)cc1O
InChIInChI=1S/C17H15NO2/c19-16-8-5-12(9-17(16)20)11-18-15-7-6-13-3-1-2-4-14(13)10-15/h1-10,18-20H,11H2
InChIKeyQYMHAOZLKJHVDJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.86
Rot. Bonds3

About 4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol

4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol (PubChem CID 43680262) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol
PubChem CID43680262
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol
SMILESOc1ccc(CNc2ccc3ccccc3c2)cc1O
InChIInChI=1S/C17H15NO2/c19-16-8-5-12(9-17(16)20)11-18-15-7-6-13-3-1-2-4-14(13)10-15/h1-10,18-20H,11H2
InChIKeyQYMHAOZLKJHVDJ-UHFFFAOYSA-N
XLogP3.86
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol?
The IUPAC name of 4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol (CID 43680262) is 4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol is Oc1ccc(CNc2ccc3ccccc3c2)cc1O.
What is the InChIKey of 4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol?
The InChIKey is QYMHAOZLKJHVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-16-8-5-12(9-17(16)20)11-18-15-7-6-13-3-1-2-4-14(13)10-15/h1-10,18-20H,11H2.
What are the key properties of 4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol?
4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol has a molecular weight of 265.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol is sourced from PubChem (CID 43680262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).