1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene

C12H15N3O — CID 14437044

IUPAC1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cccc2c1CCCC2CN=[N+]=[N-]
InChIInChI=1S/C12H15N3O/c1-16-12-7-3-5-10-9(8-14-15-13)4-2-6-11(10)12/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyWSZDKBFNAHQSPO-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.43
Rot. Bonds3

About 1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene

1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 14437044) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID14437044
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cccc2c1CCCC2CN=[N+]=[N-]
InChIInChI=1S/C12H15N3O/c1-16-12-7-3-5-10-9(8-14-15-13)4-2-6-11(10)12/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyWSZDKBFNAHQSPO-UHFFFAOYSA-N
XLogP3.43
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.43
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

[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
CID 10774628
1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 72942489
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
CID 10684798
4-cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine
CID 44598136
N-cyclopropyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83910112
3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide
CID 44598774
(2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane
CID 125456577
1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine
CID 11428679
1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone
CID 10830296
1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine
CID 11281378

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene (CID 14437044) is 1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene is COc1cccc2c1CCCC2CN=[N+]=[N-].
What is the InChIKey of 1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WSZDKBFNAHQSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-12-7-3-5-10-9(8-14-15-13)4-2-6-11(10)12/h3,5,7,9H,2,4,6,8H2,1H3.
What are the key properties of 1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene?
1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 217.27 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 14437044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).