2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium

C16H22NO+ — CID 15340375

IUPAC2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium
SMILESCOc1ccc2cccc(CC[N+](C)(C)C)c2c1
InChIInChI=1S/C16H22NO/c1-17(2,3)11-10-14-7-5-6-13-8-9-15(18-4)12-16(13)14/h5-9,12H,10-11H2,1-4H3/q+1
InChIKeyBSXPHXCUPXBREY-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.10
Rot. Bonds4

About 2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium

2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium (PubChem CID 15340375) has the molecular formula C16H22NO+ and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium
PubChem CID15340375
Molecular FormulaC16H22NO+
Molecular Weight244.36 g/mol
Exact Mass244.17
IUPAC Name2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium
SMILESCOc1ccc2cccc(CC[N+](C)(C)C)c2c1
InChIInChI=1S/C16H22NO/c1-17(2,3)11-10-14-7-5-6-13-8-9-15(18-4)12-16(13)14/h5-9,12H,10-11H2,1-4H3/q+1
InChIKeyBSXPHXCUPXBREY-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Venlafaxine
CID 5656
Agomelatine
CID 82148
2-Methoxynaphthalene
CID 7119
3,4-Dimethoxy-N,N-dimethyl-1-phenanthreneethanamine
CID 96918
(S)-Venlafaxine
CID 11846746
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
2-Pyrrolidinone, 1-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071635
Acetamide, 2-bromo-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071636
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
Amotriphene
CID 11283
Venlafaxine, (R)-
CID 9795623
N-(4-Methoxybenzyl)-1-(naphthalen-1-yl)methanamine
CID 781301

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium?
The IUPAC name of 2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium (CID 15340375) is 2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium.
What is the SMILES notation for 2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium?
The canonical SMILES for 2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium is COc1ccc2cccc(CC[N+](C)(C)C)c2c1.
What is the InChIKey of 2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium?
The InChIKey is BSXPHXCUPXBREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22NO/c1-17(2,3)11-10-14-7-5-6-13-8-9-15(18-4)12-16(13)14/h5-9,12H,10-11H2,1-4H3/q+1.
What are the key properties of 2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium?
2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium has a molecular weight of 244.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxynaphthalen-1-yl)ethyl-trimethylazanium is sourced from PubChem (CID 15340375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).