5-(1-pyridin-4-ylethoxy)naphthalen-1-amine

C17H16N2O — CID 82037865

IUPAC5-(1-pyridin-4-ylethoxy)naphthalen-1-amine
SMILESCC(Oc1cccc2c(N)cccc12)c1ccncc1
InChIInChI=1S/C17H16N2O/c1-12(13-8-10-19-11-9-13)20-17-7-3-4-14-15(17)5-2-6-16(14)18/h2-12H,18H2,1H3
InChIKeyDGWPWWXSTSMFJY-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.96
Rot. Bonds3

About 5-(1-pyridin-4-ylethoxy)naphthalen-1-amine

5-(1-pyridin-4-ylethoxy)naphthalen-1-amine (PubChem CID 82037865) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-(1-pyridin-4-ylethoxy)naphthalen-1-amine.

Molecular Properties

Compound Name5-(1-pyridin-4-ylethoxy)naphthalen-1-amine
PubChem CID82037865
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name5-(1-pyridin-4-ylethoxy)naphthalen-1-amine
SMILESCC(Oc1cccc2c(N)cccc12)c1ccncc1
InChIInChI=1S/C17H16N2O/c1-12(13-8-10-19-11-9-13)20-17-7-3-4-14-15(17)5-2-6-16(14)18/h2-12H,18H2,1H3
InChIKeyDGWPWWXSTSMFJY-UHFFFAOYSA-N
XLogP3.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
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 5-(1-pyridin-4-ylethoxy)naphthalen-1-amine?
The IUPAC name of 5-(1-pyridin-4-ylethoxy)naphthalen-1-amine (CID 82037865) is 5-(1-pyridin-4-ylethoxy)naphthalen-1-amine.
What is the SMILES notation for 5-(1-pyridin-4-ylethoxy)naphthalen-1-amine?
The canonical SMILES for 5-(1-pyridin-4-ylethoxy)naphthalen-1-amine is CC(Oc1cccc2c(N)cccc12)c1ccncc1.
What is the InChIKey of 5-(1-pyridin-4-ylethoxy)naphthalen-1-amine?
The InChIKey is DGWPWWXSTSMFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12(13-8-10-19-11-9-13)20-17-7-3-4-14-15(17)5-2-6-16(14)18/h2-12H,18H2,1H3.
What are the key properties of 5-(1-pyridin-4-ylethoxy)naphthalen-1-amine?
5-(1-pyridin-4-ylethoxy)naphthalen-1-amine has a molecular weight of 264.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyridin-4-ylethoxy)naphthalen-1-amine is sourced from PubChem (CID 82037865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).