3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one

C16H19NO2 — CID 113359728

IUPAC3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one
SMILESCOCCC(N)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2/c1-19-9-8-15(17)11-16(18)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15H,8-9,11,17H2,1H3
InChIKeyWFEYZUUKMCOWNH-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.78
Rot. Bonds6

About 3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one

3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one (PubChem CID 113359728) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one.

Molecular Properties

Compound Name3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one
PubChem CID113359728
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one
SMILESCOCCC(N)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2/c1-19-9-8-15(17)11-16(18)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15H,8-9,11,17H2,1H3
InChIKeyWFEYZUUKMCOWNH-UHFFFAOYSA-N
XLogP2.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one?
The IUPAC name of 3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one (CID 113359728) is 3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one.
What is the SMILES notation for 3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one?
The canonical SMILES for 3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one is COCCC(N)CC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one?
The InChIKey is WFEYZUUKMCOWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-19-9-8-15(17)11-16(18)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15H,8-9,11,17H2,1H3.
What are the key properties of 3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one?
3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one has a molecular weight of 257.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-1-naphthalen-2-ylpentan-1-one is sourced from PubChem (CID 113359728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).