naphthalen-1-ylmethylazanium acetate

C13H15NO2 — CID 139118944

IUPACnaphthalen-1-ylmethylazanium acetate
SMILESCC(=O)[O-].[NH3+]Cc1cccc2ccccc12
InChIInChI=1S/C11H11N.C2H4O2/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-2(3)4/h1-7H,8,12H2;1H3,(H,3,4)
InChIKeyGGWMVASQBGQPCH-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.34
Rot. Bonds1

About naphthalen-1-ylmethylazanium acetate

naphthalen-1-ylmethylazanium acetate (PubChem CID 139118944) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is naphthalen-1-ylmethylazanium acetate.

Molecular Properties

Compound Namenaphthalen-1-ylmethylazanium acetate
PubChem CID139118944
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namenaphthalen-1-ylmethylazanium acetate
SMILESCC(=O)[O-].[NH3+]Cc1cccc2ccccc12
InChIInChI=1S/C11H11N.C2H4O2/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-2(3)4/h1-7H,8,12H2;1H3,(H,3,4)
InChIKeyGGWMVASQBGQPCH-UHFFFAOYSA-N
XLogP0.34
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Naphthyl)ethylamine
CID 98089
1-Naphthalenemethanamine
CID 8355
N-Methyl-N-naphthylmethylamine
CID 84474
1-(Naphthalen-2-yl)ethan-1-amine
CID 3857145
1-(2-Naphthyl)methanamine
CID 137282
1-Naphthalenemethanamine, alpha-methyl-, (alphaS)-
CID 66325
(+)-1-(1-Naphthyl)ethylamine
CID 2724264
Naphthalen-1-ylmethanamine hydrochloride
CID 458436
(1S)-1-(naphthalen-2-yl)ethan-1-amine
CID 1201503
(1R)-1-(naphthalen-2-yl)ethan-1-amine
CID 1798835
N-[(naphthalen-1-yl)methyl]aminosulfonamide
CID 11550437
Acetamide, N-(1-naphthalenylmethyl)-
CID 88016

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethylazanium acetate?
The IUPAC name of naphthalen-1-ylmethylazanium acetate (CID 139118944) is naphthalen-1-ylmethylazanium acetate.
What is the SMILES notation for naphthalen-1-ylmethylazanium acetate?
The canonical SMILES for naphthalen-1-ylmethylazanium acetate is CC(=O)[O-].[NH3+]Cc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethylazanium acetate?
The InChIKey is GGWMVASQBGQPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C2H4O2/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-2(3)4/h1-7H,8,12H2;1H3,(H,3,4).
What are the key properties of naphthalen-1-ylmethylazanium acetate?
naphthalen-1-ylmethylazanium acetate has a molecular weight of 217.27 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethylazanium acetate is sourced from PubChem (CID 139118944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).