1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine

C14H14N4O — CID 118487273

IUPAC1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2cccc(N=[N+]=[N-])c2)c1
InChIInChI=1S/C14H14N4O/c1-16-10-11-4-2-6-13(8-11)19-14-7-3-5-12(9-14)17-18-15/h2-9,16H,10H2,1H3
InChIKeyYHAZOQWDXVTRKS-UHFFFAOYSA-N
MW254.29 g/mol
LogP4.14
Rot. Bonds5

About 1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine

1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine (PubChem CID 118487273) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine
PubChem CID118487273
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2cccc(N=[N+]=[N-])c2)c1
InChIInChI=1S/C14H14N4O/c1-16-10-11-4-2-6-13(8-11)19-14-7-3-5-12(9-14)17-18-15/h2-9,16H,10H2,1H3
InChIKeyYHAZOQWDXVTRKS-UHFFFAOYSA-N
XLogP4.14
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
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

1-[3-(3-tert-butylphenoxy)phenyl]-N-methylmethanamine
CID 63942522
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 83234561
1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]-N-methylmethanamine
CID 63942120
N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine
CID 63943488
N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
CID 116793113
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen
CID 145483741
N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine
CID 106486575
1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine
CID 142399643
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
N-[2-(3-azidophenoxy)ethyl]acetamide
CID 151103668

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine (CID 118487273) is 1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine is CNCc1cccc(Oc2cccc(N=[N+]=[N-])c2)c1.
What is the InChIKey of 1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is YHAZOQWDXVTRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-16-10-11-4-2-6-13(8-11)19-14-7-3-5-12(9-14)17-18-15/h2-9,16H,10H2,1H3.
What are the key properties of 1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine?
1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine has a molecular weight of 254.29 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 118487273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).