1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene

C17H19N3O2 — CID 57033234

IUPAC1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene
SMILESCOc1ccccc1COC(CCN=[N+]=[N-])c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-21-16-10-6-5-9-15(16)13-22-17(11-12-19-20-18)14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3
InChIKeyZHRMVDGLWLXNMJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.65
Rot. Bonds8

About 1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene

1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene (PubChem CID 57033234) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene
PubChem CID57033234
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene
SMILESCOc1ccccc1COC(CCN=[N+]=[N-])c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-21-16-10-6-5-9-15(16)13-22-17(11-12-19-20-18)14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3
InChIKeyZHRMVDGLWLXNMJ-UHFFFAOYSA-N
XLogP4.65
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.65
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

N,N-dibenzyl-3-[(2-methoxyphenyl)methoxy]-3-phenylpropan-1-amine
CID 20552821
3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
CID 161266462
1-(azidomethyl)-2-methoxybenzene
CID 11263685
ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene
CID 154665730
1-[(2-azido-1-phenylethoxy)methyl]-4-tert-butylbenzene
CID 122470315
3-[(2-methoxyphenyl)methoxy]-1-phenylpropan-1-amine
CID 57274569
1-(2-azidoethyl)-2,3-dimethoxybenzene
CID 150478771
2-(1-phenylbutoxymethyl)phenol
CID 67179577
4-(2-methoxyphenyl)-1-phenylbutan-1-ol
CID 64513742
(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol
CID 165492310
1-methoxy-2-[(1R)-2-methoxy-1-phenylethoxy]benzene
CID 139888612
(4-azido-1-phenylbutyl) carbamate
CID 121415286

Frequently Asked Questions

What is the IUPAC name of 1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene?
The IUPAC name of 1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene (CID 57033234) is 1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene.
What is the SMILES notation for 1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene?
The canonical SMILES for 1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene is COc1ccccc1COC(CCN=[N+]=[N-])c1ccccc1.
What is the InChIKey of 1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene?
The InChIKey is ZHRMVDGLWLXNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-21-16-10-6-5-9-15(16)13-22-17(11-12-19-20-18)14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3.
What are the key properties of 1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene?
1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene has a molecular weight of 297.36 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene is sourced from PubChem (CID 57033234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).