2-(2-azidoethoxy)-4-bromo-1-methylbenzene

C9H10BrN3O — CID 107285403

IUPAC2-(2-azidoethoxy)-4-bromo-1-methylbenzene
SMILESCc1ccc(Br)cc1OCCN=[N+]=[N-]
InChIInChI=1S/C9H10BrN3O/c1-7-2-3-8(10)6-9(7)14-5-4-12-13-11/h2-3,6H,4-5H2,1H3
InChIKeyYFWLNDZAZWOMAK-UHFFFAOYSA-N
MW256.10 g/mol
LogP3.45
Rot. Bonds4

About 2-(2-azidoethoxy)-4-bromo-1-methylbenzene

2-(2-azidoethoxy)-4-bromo-1-methylbenzene (PubChem CID 107285403) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 2-(2-azidoethoxy)-4-bromo-1-methylbenzene.

Molecular Properties

Compound Name2-(2-azidoethoxy)-4-bromo-1-methylbenzene
PubChem CID107285403
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name2-(2-azidoethoxy)-4-bromo-1-methylbenzene
SMILESCc1ccc(Br)cc1OCCN=[N+]=[N-]
InChIInChI=1S/C9H10BrN3O/c1-7-2-3-8(10)6-9(7)14-5-4-12-13-11/h2-3,6H,4-5H2,1H3
InChIKeyYFWLNDZAZWOMAK-UHFFFAOYSA-N
XLogP3.45
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

4-bromo-2-(2-chloroethoxy)-1-methylbenzene
CID 107283647
3-(5-bromo-2-methylphenoxy)propan-1-amine
CID 82648257
4-bromo-2-(2-ethylsulfanylethoxy)-1-methylbenzene
CID 107284056
4-bromo-2-hexoxy-1-methylbenzene
CID 59244054
4-(5-bromo-2-methylphenoxy)butan-1-amine
CID 107283575
4-bromo-2-(3,3-dimethylbutoxy)-1-methylbenzene
CID 107283981
1-(2-azidoethoxy)-4-chloro-2-methylbenzene
CID 61397078
5-(5-bromo-2-methylphenoxy)pentane-1-thiol
CID 107287321
1-(2-azidoethoxy)-2,3-dimethylbenzene
CID 61397204
4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene
CID 107284054
2-(2-azidoethoxy)-1,3,4-trimethylbenzene
CID 61396645
4-bromo-1-methyl-2-[2-(trifluoromethoxy)ethoxy]benzene
CID 107284110

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethoxy)-4-bromo-1-methylbenzene?
The IUPAC name of 2-(2-azidoethoxy)-4-bromo-1-methylbenzene (CID 107285403) is 2-(2-azidoethoxy)-4-bromo-1-methylbenzene.
What is the SMILES notation for 2-(2-azidoethoxy)-4-bromo-1-methylbenzene?
The canonical SMILES for 2-(2-azidoethoxy)-4-bromo-1-methylbenzene is Cc1ccc(Br)cc1OCCN=[N+]=[N-].
What is the InChIKey of 2-(2-azidoethoxy)-4-bromo-1-methylbenzene?
The InChIKey is YFWLNDZAZWOMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c1-7-2-3-8(10)6-9(7)14-5-4-12-13-11/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(2-azidoethoxy)-4-bromo-1-methylbenzene?
2-(2-azidoethoxy)-4-bromo-1-methylbenzene has a molecular weight of 256.10 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethoxy)-4-bromo-1-methylbenzene is sourced from PubChem (CID 107285403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).