6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one

C16H15NO2 — CID 89318567

IUPAC6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESNc1ccc(Oc2ccc3c(c2)CCCC3=O)cc1
InChIInChI=1S/C16H15NO2/c17-12-4-6-13(7-5-12)19-14-8-9-15-11(10-14)2-1-3-16(15)18/h4-10H,1-3,17H2
InChIKeyCAPRURDUGSYRLT-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.58
Rot. Bonds2

About 6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one

6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 89318567) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID89318567
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESNc1ccc(Oc2ccc3c(c2)CCCC3=O)cc1
InChIInChI=1S/C16H15NO2/c17-12-4-6-13(7-5-12)19-14-8-9-15-11(10-14)2-1-3-16(15)18/h4-10H,1-3,17H2
InChIKeyCAPRURDUGSYRLT-UHFFFAOYSA-N
XLogP3.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 89318567) is 6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one is Nc1ccc(Oc2ccc3c(c2)CCCC3=O)cc1.
What is the InChIKey of 6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is CAPRURDUGSYRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c17-12-4-6-13(7-5-12)19-14-8-9-15-11(10-14)2-1-3-16(15)18/h4-10H,1-3,17H2.
What are the key properties of 6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one?
6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 253.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 89318567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).