N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine

C18H18N2O — CID 79245220

IUPACN-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine
SMILESCCNc1ccnc(COc2cccc3ccccc23)c1
InChIInChI=1S/C18H18N2O/c1-2-19-15-10-11-20-16(12-15)13-21-18-9-5-7-14-6-3-4-8-17(14)18/h3-12H,2,13H2,1H3,(H,19,20)
InChIKeyCLJPMSSFPCRIEC-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.25
Rot. Bonds5

About N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine

N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine (PubChem CID 79245220) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine
PubChem CID79245220
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine
SMILESCCNc1ccnc(COc2cccc3ccccc23)c1
InChIInChI=1S/C18H18N2O/c1-2-19-15-10-11-20-16(12-15)13-21-18-9-5-7-14-6-3-4-8-17(14)18/h3-12H,2,13H2,1H3,(H,19,20)
InChIKeyCLJPMSSFPCRIEC-UHFFFAOYSA-N
XLogP4.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine?
The IUPAC name of N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine (CID 79245220) is N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine?
The canonical SMILES for N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine is CCNc1ccnc(COc2cccc3ccccc23)c1.
What is the InChIKey of N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine?
The InChIKey is CLJPMSSFPCRIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-19-15-10-11-20-16(12-15)13-21-18-9-5-7-14-6-3-4-8-17(14)18/h3-12H,2,13H2,1H3,(H,19,20).
What are the key properties of N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine?
N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine is sourced from PubChem (CID 79245220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).