2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine

C17H21NO2 — CID 142285883

IUPAC2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine
SMILESCCOc1ccc2ccccc2c1COCC1(C)CN1
InChIInChI=1S/C17H21NO2/c1-3-20-16-9-8-13-6-4-5-7-14(13)15(16)10-19-12-17(2)11-18-17/h4-9,18H,3,10-12H2,1-2H3
InChIKeyUDAICLVKIZLRJR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.12
Rot. Bonds6

About 2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine

2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine (PubChem CID 142285883) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine.

Molecular Properties

Compound Name2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine
PubChem CID142285883
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine
SMILESCCOc1ccc2ccccc2c1COCC1(C)CN1
InChIInChI=1S/C17H21NO2/c1-3-20-16-9-8-13-6-4-5-7-14(13)15(16)10-19-12-17(2)11-18-17/h4-9,18H,3,10-12H2,1-2H3
InChIKeyUDAICLVKIZLRJR-UHFFFAOYSA-N
XLogP3.12
TPSA40.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2-ethoxynaphthalene
CID 12064074
3-(2-ethoxynaphthalen-1-yl)propanoic acid
CID 9149906
1-[(2-ethoxynaphthalen-1-yl)methyl]piperidine
CID 141150961
cyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium
CID 8620919
(4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187289
(4S)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188717
4-[(2-ethoxynaphthalen-1-yl)methylamino]-4-oxobutanoate
CID 9151494
N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline
CID 126125026
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332522
[2-(ethoxymethoxy)naphthalen-1-yl]methanamine
CID 65369670
3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 102536565
4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline
CID 126115732

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine?
The IUPAC name of 2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine (CID 142285883) is 2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine.
What is the SMILES notation for 2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine?
The canonical SMILES for 2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine is CCOc1ccc2ccccc2c1COCC1(C)CN1.
What is the InChIKey of 2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine?
The InChIKey is UDAICLVKIZLRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-20-16-9-8-13-6-4-5-7-14(13)15(16)10-19-12-17(2)11-18-17/h4-9,18H,3,10-12H2,1-2H3.
What are the key properties of 2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine?
2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine has a molecular weight of 271.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxynaphthalen-1-yl)methoxymethyl]-2-methylaziridine is sourced from PubChem (CID 142285883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).