1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene

C10H13N3O2 — CID 104853648

IUPAC1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene
SMILESCOc1ccc([C@H](C)N=[N+]=[N-])c(OC)c1
InChIInChI=1S/C10H13N3O2/c1-7(12-13-11)9-5-4-8(14-2)6-10(9)15-3/h4-7H,1-3H3/t7-/m0/s1
InChIKeyJJIBRUICWUWSKZ-ZETCQYMHSA-N
MW207.23 g/mol
LogP3.08
Rot. Bonds4

About 1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene

1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene (PubChem CID 104853648) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene
PubChem CID104853648
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene
SMILESCOc1ccc([C@H](C)N=[N+]=[N-])c(OC)c1
InChIInChI=1S/C10H13N3O2/c1-7(12-13-11)9-5-4-8(14-2)6-10(9)15-3/h4-7H,1-3H3/t7-/m0/s1
InChIKeyJJIBRUICWUWSKZ-ZETCQYMHSA-N
XLogP3.08
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(2,4-dimethoxyphenyl)ethanethiol
CID 43124104
(1S,2S)-2-azido-1-(2,4-dimethoxyphenyl)-3-phenylpropan-1-ol
CID 102134629
4-azido-1-(2,4-dimethoxyphenyl)butane-1,2-diol
CID 171879758
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
1-(3-bromo-4-methylpentan-2-yl)-2,4-dimethoxybenzene
CID 79298002
1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine
CID 79616909
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene (CID 104853648) is 1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene is COc1ccc([C@H](C)N=[N+]=[N-])c(OC)c1.
What is the InChIKey of 1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene?
The InChIKey is JJIBRUICWUWSKZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7(12-13-11)9-5-4-8(14-2)6-10(9)15-3/h4-7H,1-3H3/t7-/m0/s1.
What are the key properties of 1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene?
1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene has a molecular weight of 207.23 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 104853648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).