1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine

C16H19NO2 — CID 116869429

IUPAC1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine
SMILESCOc1ccc2cc(C3(C(C)N)COC3)ccc2c1
InChIInChI=1S/C16H19NO2/c1-11(17)16(9-19-10-16)14-5-3-13-8-15(18-2)6-4-12(13)7-14/h3-8,11H,9-10,17H2,1-2H3
InChIKeySGUXGPPJGKCWMW-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.46
Rot. Bonds3

About 1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine

1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine (PubChem CID 116869429) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine
PubChem CID116869429
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine
SMILESCOc1ccc2cc(C3(C(C)N)COC3)ccc2c1
InChIInChI=1S/C16H19NO2/c1-11(17)16(9-19-10-16)14-5-3-13-8-15(18-2)6-4-12(13)7-14/h3-8,11H,9-10,17H2,1-2H3
InChIKeySGUXGPPJGKCWMW-UHFFFAOYSA-N
XLogP2.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine
CID 116869379
3-methoxy-3-(6-methoxynaphthalen-2-yl)oxetane
CID 116876018
3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane
CID 116876570
3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid
CID 116871824
2-[(1S)-1-bromoethyl]-2-(6-methoxynaphthalen-2-yl)-5,5-dimethyl-1,3-dioxane
CID 54472939
3-(6-methoxynaphthalen-2-yl)azetidin-3-amine
CID 166607932
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine
CID 116869361
2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline
CID 117341054
2-[(1S)-1-bromoethyl]-2-(6-methoxynaphthalen-2-yl)-1,3-dioxolane
CID 18602098
2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol
CID 117296056
1-(1-naphthalen-2-ylcyclohexyl)ethanamine
CID 24860835
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine?
The IUPAC name of 1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine (CID 116869429) is 1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine.
What is the SMILES notation for 1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine?
The canonical SMILES for 1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine is COc1ccc2cc(C3(C(C)N)COC3)ccc2c1.
What is the InChIKey of 1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine?
The InChIKey is SGUXGPPJGKCWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(17)16(9-19-10-16)14-5-3-13-8-15(18-2)6-4-12(13)7-14/h3-8,11H,9-10,17H2,1-2H3.
What are the key properties of 1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine?
1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine has a molecular weight of 257.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine is sourced from PubChem (CID 116869429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).