2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine

C19H25NO2 — CID 44590819

IUPAC2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine
SMILESCOc1ccc(CCC2CCC(CCN)O2)c2ccccc12
InChIInChI=1S/C19H25NO2/c1-21-19-11-7-14(17-4-2-3-5-18(17)19)6-8-15-9-10-16(22-15)12-13-20/h2-5,7,11,15-16H,6,8-10,12-13,20H2,1H3
InChIKeyZUIXQIJYPVGBQL-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.68
Rot. Bonds6

About 2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine

2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine (PubChem CID 44590819) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine
PubChem CID44590819
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine
SMILESCOc1ccc(CCC2CCC(CCN)O2)c2ccccc12
InChIInChI=1S/C19H25NO2/c1-21-19-11-7-14(17-4-2-3-5-18(17)19)6-8-15-9-10-16(22-15)12-13-20/h2-5,7,11,15-16H,6,8-10,12-13,20H2,1H3
InChIKeyZUIXQIJYPVGBQL-UHFFFAOYSA-N
XLogP3.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine?
The IUPAC name of 2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine (CID 44590819) is 2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine?
The canonical SMILES for 2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine is COc1ccc(CCC2CCC(CCN)O2)c2ccccc12.
What is the InChIKey of 2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine?
The InChIKey is ZUIXQIJYPVGBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-21-19-11-7-14(17-4-2-3-5-18(17)19)6-8-15-9-10-16(22-15)12-13-20/h2-5,7,11,15-16H,6,8-10,12-13,20H2,1H3.
What are the key properties of 2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine?
2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine has a molecular weight of 299.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine is sourced from PubChem (CID 44590819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).