2-[azido(phenylmethoxy)methyl]naphthalene

C18H15N3O — CID 102513319

IUPAC2-[azido(phenylmethoxy)methyl]naphthalene
SMILES[N-]=[N+]=NC(OCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H15N3O/c19-21-20-18(22-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12,18H,13H2
InChIKeyDQQAAPGNYYOAQG-UHFFFAOYSA-N
MW289.34 g/mol
LogP5.37
Rot. Bonds5

About 2-[azido(phenylmethoxy)methyl]naphthalene

2-[azido(phenylmethoxy)methyl]naphthalene (PubChem CID 102513319) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[azido(phenylmethoxy)methyl]naphthalene.

Molecular Properties

Compound Name2-[azido(phenylmethoxy)methyl]naphthalene
PubChem CID102513319
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-[azido(phenylmethoxy)methyl]naphthalene
SMILES[N-]=[N+]=NC(OCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H15N3O/c19-21-20-18(22-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12,18H,13H2
InChIKeyDQQAAPGNYYOAQG-UHFFFAOYSA-N
XLogP5.37
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.34
LogP ≤ 55.37
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

N-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine
CID 59570725
2-[1-(1-Azidoethoxy)-3,3,3-trifluoropropyl]naphthalene
CID 164684524
N-Benzoxy-2-naphthalenemethanamine
CID 53308533
2-(Naphthalen-2-yl)-4-phenyl-4,5-dihydrooxazole
CID 14919449
(2R,4S)-4-azido-2-naphthalen-2-yloxane
CID 102475560
2-(Naphthalen-1-yl)-4-phenyl-2,5-dihydro-1,3-oxazole
CID 134159458
5-(1-Azido-2-phenylethyl)-6-(2-phenylethynyl)-1,3-dihydro-2-benzofuran
CID 138969783
2-(2-Azido-1-methoxyethyl)naphthalene
CID 138971919
4-(Naphthalen-1-yl)-2-phenyl-4,5-dihydrooxazole
CID 146025902
4-(Naphthalen-2-yl)-2-phenyl-4,5-dihydrooxazole
CID 146025937
1-Phenyl-1,3-dihydronaphtho[2,3-c]furan-1-amine
CID 14064964
Naphthalene, 2-[(phenylmethoxy)methyl]-
CID 12164825

Frequently Asked Questions

What is the IUPAC name of 2-[azido(phenylmethoxy)methyl]naphthalene?
The IUPAC name of 2-[azido(phenylmethoxy)methyl]naphthalene (CID 102513319) is 2-[azido(phenylmethoxy)methyl]naphthalene.
What is the SMILES notation for 2-[azido(phenylmethoxy)methyl]naphthalene?
The canonical SMILES for 2-[azido(phenylmethoxy)methyl]naphthalene is [N-]=[N+]=NC(OCc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[azido(phenylmethoxy)methyl]naphthalene?
The InChIKey is DQQAAPGNYYOAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c19-21-20-18(22-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12,18H,13H2.
What are the key properties of 2-[azido(phenylmethoxy)methyl]naphthalene?
2-[azido(phenylmethoxy)methyl]naphthalene has a molecular weight of 289.34 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azido(phenylmethoxy)methyl]naphthalene is sourced from PubChem (CID 102513319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).