2-(2-azido-1-methoxyethyl)naphthalene

C13H13N3O — CID 138971919

IUPAC2-(2-azido-1-methoxyethyl)naphthalene
SMILESCOC(CN=[N+]=[N-])c1ccc2ccccc2c1
InChIInChI=1S/C13H13N3O/c1-17-13(9-15-16-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,9H2,1H3
InChIKeyOOGGDHPEONADRR-UHFFFAOYSA-N
MW227.27 g/mol
LogP3.84
Rot. Bonds4

About 2-(2-azido-1-methoxyethyl)naphthalene

2-(2-azido-1-methoxyethyl)naphthalene (PubChem CID 138971919) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(2-azido-1-methoxyethyl)naphthalene.

Molecular Properties

Compound Name2-(2-azido-1-methoxyethyl)naphthalene
PubChem CID138971919
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-(2-azido-1-methoxyethyl)naphthalene
SMILESCOC(CN=[N+]=[N-])c1ccc2ccccc2c1
InChIInChI=1S/C13H13N3O/c1-17-13(9-15-16-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,9H2,1H3
InChIKeyOOGGDHPEONADRR-UHFFFAOYSA-N
XLogP3.84
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(Aminomethyl)-5-(1''-naphthyl)tetrahydrofuran
CID 11572135
2-(Aminomethyl)-5-(2''-naphthyl)tetrahydrofuran
CID 11637187
1-[2-Methoxy-2-(1-naphthyl)ethyl]-1-methylhydrazine
CID 46929945
1-[2-Methoxy-2-(2-naphthyl)ethyl]-1-methylhydrazine
CID 46929946
2-Methoxy-2-(2-naphthyl)acetonitrile
CID 10104166
2-Ethoxy-2-(2-naphthyl)acetonitrile
CID 10262571
1-[2-Azido-1-(trifluoromethoxy)ethyl]-4-phenylbenzene
CID 141518617
2-(Methoxymethyl)naphthalene
CID 521083
2-Naphthyl diethyl ether
CID 11333131
1-Methoxymethyl-4-methylnaphthalene
CID 3018091
2-[1-(1-Azidoethoxy)-3,3,3-trifluoropropyl]naphthalene
CID 164684524
2-Methyl-3-naphthalen-2-yloxirane
CID 15359582

Frequently Asked Questions

What is the IUPAC name of 2-(2-azido-1-methoxyethyl)naphthalene?
The IUPAC name of 2-(2-azido-1-methoxyethyl)naphthalene (CID 138971919) is 2-(2-azido-1-methoxyethyl)naphthalene.
What is the SMILES notation for 2-(2-azido-1-methoxyethyl)naphthalene?
The canonical SMILES for 2-(2-azido-1-methoxyethyl)naphthalene is COC(CN=[N+]=[N-])c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-azido-1-methoxyethyl)naphthalene?
The InChIKey is OOGGDHPEONADRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-17-13(9-15-16-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,9H2,1H3.
What are the key properties of 2-(2-azido-1-methoxyethyl)naphthalene?
2-(2-azido-1-methoxyethyl)naphthalene has a molecular weight of 227.27 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azido-1-methoxyethyl)naphthalene is sourced from PubChem (CID 138971919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).