2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone

C17H20N2O2 — CID 43505486

IUPAC2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone
SMILESNCc1c(OCC(=O)N2CCCC2)ccc2ccccc12
InChIInChI=1S/C17H20N2O2/c18-11-15-14-6-2-1-5-13(14)7-8-16(15)21-12-17(20)19-9-3-4-10-19/h1-2,5-8H,3-4,9-12,18H2
InChIKeyQLOPSGVRFKGHRY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.30
Rot. Bonds4

About 2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone

2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone (PubChem CID 43505486) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone
PubChem CID43505486
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone
SMILESNCc1c(OCC(=O)N2CCCC2)ccc2ccccc12
InChIInChI=1S/C17H20N2O2/c18-11-15-14-6-2-1-5-13(14)7-8-16(15)21-12-17(20)19-9-3-4-10-19/h1-2,5-8H,3-4,9-12,18H2
InChIKeyQLOPSGVRFKGHRY-UHFFFAOYSA-N
XLogP2.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-1-yl)-2-(1-bromonaphthalen-2-yl)oxyethanone
CID 1010742
2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 4769726
2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 112779040
2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
CID 54931191
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
2-[4-(aminomethyl)-2-bromophenoxy]-1-piperidin-1-ylethanone
CID 55147902
2-(1-bromonaphthalen-2-yl)oxy-1-(3-methylpiperidin-1-yl)ethanone
CID 42990322
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone
CID 112823841
2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 4992160
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone (CID 43505486) is 2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone is NCc1c(OCC(=O)N2CCCC2)ccc2ccccc12.
What is the InChIKey of 2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone?
The InChIKey is QLOPSGVRFKGHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-11-15-14-6-2-1-5-13(14)7-8-16(15)21-12-17(20)19-9-3-4-10-19/h1-2,5-8H,3-4,9-12,18H2.
What are the key properties of 2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone?
2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone has a molecular weight of 284.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43505486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).