1-(2-azidoethyl)-4-methoxy-2-methylbenzene

C10H13N3O — CID 151451429

IUPAC1-(2-azidoethyl)-4-methoxy-2-methylbenzene
SMILESCOc1ccc(CCN=[N+]=[N-])c(C)c1
InChIInChI=1S/C10H13N3O/c1-8-7-10(14-2)4-3-9(8)5-6-12-13-11/h3-4,7H,5-6H2,1-2H3
InChIKeyPGOLDBVZVRNUMS-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-azidoethyl)-4-methoxy-2-methylbenzene

1-(2-azidoethyl)-4-methoxy-2-methylbenzene (PubChem CID 151451429) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(2-azidoethyl)-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-(2-azidoethyl)-4-methoxy-2-methylbenzene
PubChem CID151451429
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(2-azidoethyl)-4-methoxy-2-methylbenzene
SMILESCOc1ccc(CCN=[N+]=[N-])c(C)c1
InChIInChI=1S/C10H13N3O/c1-8-7-10(14-2)4-3-9(8)5-6-12-13-11/h3-4,7H,5-6H2,1-2H3
InChIKeyPGOLDBVZVRNUMS-UHFFFAOYSA-N
XLogP2.86
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.86
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

1-(azidomethyl)-2,4-dimethoxybenzene
CID 14217595
2-azido-1-(4-methoxy-2-methylphenyl)ethanone
CID 98883097
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
1-(isocyanomethyl)-4-methoxy-2-methylbenzene
CID 83480247
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
(2R)-1-(4-methoxy-2-methylphenyl)propan-2-ol
CID 97009148
2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine
CID 63815390
1-(3-chloropentyl)-4-methoxy-2-methylbenzene
CID 65316392
2-(azidomethyl)-4-methoxyphenol
CID 16655853
O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117276532
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-4-methoxy-2-methylbenzene?
The IUPAC name of 1-(2-azidoethyl)-4-methoxy-2-methylbenzene (CID 151451429) is 1-(2-azidoethyl)-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-(2-azidoethyl)-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-(2-azidoethyl)-4-methoxy-2-methylbenzene is COc1ccc(CCN=[N+]=[N-])c(C)c1.
What is the InChIKey of 1-(2-azidoethyl)-4-methoxy-2-methylbenzene?
The InChIKey is PGOLDBVZVRNUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-7-10(14-2)4-3-9(8)5-6-12-13-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(2-azidoethyl)-4-methoxy-2-methylbenzene?
1-(2-azidoethyl)-4-methoxy-2-methylbenzene has a molecular weight of 191.23 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-4-methoxy-2-methylbenzene is sourced from PubChem (CID 151451429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).