2-(2-azidoethoxy)-1,3,4-trimethylbenzene

C11H15N3O — CID 61396645

IUPAC2-(2-azidoethoxy)-1,3,4-trimethylbenzene
SMILESCc1ccc(C)c(OCCN=[N+]=[N-])c1C
InChIInChI=1S/C11H15N3O/c1-8-4-5-9(2)11(10(8)3)15-7-6-13-14-12/h4-5H,6-7H2,1-3H3
InChIKeyYRCSIPSTRQEXHT-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.30
Rot. Bonds4

About 2-(2-azidoethoxy)-1,3,4-trimethylbenzene

2-(2-azidoethoxy)-1,3,4-trimethylbenzene (PubChem CID 61396645) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2-azidoethoxy)-1,3,4-trimethylbenzene.

Molecular Properties

Compound Name2-(2-azidoethoxy)-1,3,4-trimethylbenzene
PubChem CID61396645
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(2-azidoethoxy)-1,3,4-trimethylbenzene
SMILESCc1ccc(C)c(OCCN=[N+]=[N-])c1C
InChIInChI=1S/C11H15N3O/c1-8-4-5-9(2)11(10(8)3)15-7-6-13-14-12/h4-5H,6-7H2,1-3H3
InChIKeyYRCSIPSTRQEXHT-UHFFFAOYSA-N
XLogP3.30
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.30
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'}

Analyze 2-(2-azidoethoxy)-1,3,4-trimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-azidopropoxy)-1,3,4-trimethylbenzene
CID 61396646
1-(2-azidoethoxy)-2,3-dimethylbenzene
CID 61397204
2-(2-azidoethoxy)-4-bromo-1-methylbenzene
CID 107285403
2-(3-bromopropoxy)-1,3,4-trimethylbenzene
CID 43345569
1-(2-azidoethoxy)-4-chloro-2-methylbenzene
CID 61397078
2-(9-bromononoxy)-1,3,4-trimethylbenzene
CID 105343302
2-(fluoromethoxy)-1,3,4-trimethylbenzene
CID 89340105
1,2,4-trimethyl-3-pent-4-ynoxybenzene
CID 82363090
N-[2-(2,3,6-trimethylphenoxy)ethyl]butan-1-amine
CID 2262500
1-[4-(2,3,6-trimethylphenoxy)butyl]aziridine
CID 125464384
N-tert-butyl-4-(2,3,6-trimethylphenoxy)butan-1-amine
CID 62485325
2-[4-(2-methoxy-4-methylphenoxy)butoxy]-1,3,4-trimethylbenzene
CID 2285808

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethoxy)-1,3,4-trimethylbenzene?
The IUPAC name of 2-(2-azidoethoxy)-1,3,4-trimethylbenzene (CID 61396645) is 2-(2-azidoethoxy)-1,3,4-trimethylbenzene.
What is the SMILES notation for 2-(2-azidoethoxy)-1,3,4-trimethylbenzene?
The canonical SMILES for 2-(2-azidoethoxy)-1,3,4-trimethylbenzene is Cc1ccc(C)c(OCCN=[N+]=[N-])c1C.
What is the InChIKey of 2-(2-azidoethoxy)-1,3,4-trimethylbenzene?
The InChIKey is YRCSIPSTRQEXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-4-5-9(2)11(10(8)3)15-7-6-13-14-12/h4-5H,6-7H2,1-3H3.
What are the key properties of 2-(2-azidoethoxy)-1,3,4-trimethylbenzene?
2-(2-azidoethoxy)-1,3,4-trimethylbenzene has a molecular weight of 205.26 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethoxy)-1,3,4-trimethylbenzene is sourced from PubChem (CID 61396645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).