4-naphthalen-2-yloxybenzene-1,2-diamine

C16H14N2O — CID 106748292

IUPAC4-naphthalen-2-yloxybenzene-1,2-diamine
SMILESNc1ccc(Oc2ccc3ccccc3c2)cc1N
InChIInChI=1S/C16H14N2O/c17-15-8-7-14(10-16(15)18)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,17-18H2
InChIKeyJSFFCHKSDLWQQM-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.80
Rot. Bonds2

About 4-naphthalen-2-yloxybenzene-1,2-diamine

4-naphthalen-2-yloxybenzene-1,2-diamine (PubChem CID 106748292) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-naphthalen-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-naphthalen-2-yloxybenzene-1,2-diamine
PubChem CID106748292
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-naphthalen-2-yloxybenzene-1,2-diamine
SMILESNc1ccc(Oc2ccc3ccccc3c2)cc1N
InChIInChI=1S/C16H14N2O/c17-15-8-7-14(10-16(15)18)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,17-18H2
InChIKeyJSFFCHKSDLWQQM-UHFFFAOYSA-N
XLogP3.80
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-naphthalen-2-yloxybenzene-1,2-diamine?
The IUPAC name of 4-naphthalen-2-yloxybenzene-1,2-diamine (CID 106748292) is 4-naphthalen-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 4-naphthalen-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 4-naphthalen-2-yloxybenzene-1,2-diamine is Nc1ccc(Oc2ccc3ccccc3c2)cc1N.
What is the InChIKey of 4-naphthalen-2-yloxybenzene-1,2-diamine?
The InChIKey is JSFFCHKSDLWQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-15-8-7-14(10-16(15)18)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,17-18H2.
What are the key properties of 4-naphthalen-2-yloxybenzene-1,2-diamine?
4-naphthalen-2-yloxybenzene-1,2-diamine has a molecular weight of 250.30 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 106748292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).