3-(azidomethyl)-N-methylaniline

C8H10N4 — CID 150848183

IUPAC3-(azidomethyl)-N-methylaniline
SMILESCNc1cccc(CN=[N+]=[N-])c1
InChIInChI=1S/C8H10N4/c1-10-8-4-2-3-7(5-8)6-11-12-9/h2-5,10H,6H2,1H3
InChIKeyKPLPGQPEHOXDGF-UHFFFAOYSA-N
MW162.20 g/mol
LogP2.54
Rot. Bonds3

About 3-(azidomethyl)-N-methylaniline

3-(azidomethyl)-N-methylaniline (PubChem CID 150848183) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 3-(azidomethyl)-N-methylaniline.

Molecular Properties

Compound Name3-(azidomethyl)-N-methylaniline
PubChem CID150848183
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name3-(azidomethyl)-N-methylaniline
SMILESCNc1cccc(CN=[N+]=[N-])c1
InChIInChI=1S/C8H10N4/c1-10-8-4-2-3-7(5-8)6-11-12-9/h2-5,10H,6H2,1H3
InChIKeyKPLPGQPEHOXDGF-UHFFFAOYSA-N
XLogP2.54
TPSA60.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
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)-3-methylbenzene
CID 2736816
[3-(azidomethyl)phenyl]methanamine
CID 150198428
1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene
CID 117109137
2-[3-(azidomethyl)phenyl]ethanol
CID 117109153
1-(azidomethyl)-3-(2-methoxyethyl)benzene
CID 117109154
3-(azidomethyl)benzamide
CID 61374948
methyl 2-[3-(azidomethyl)anilino]-2-phenylacetate
CID 86757685
3-(bromomethyl)-N-methylaniline
CID 147410245
[3-(azidomethyl)phenoxy]-trimethylsilane
CID 150826062
4-[[[3-(azidomethyl)phenyl]methyl-methylamino]methyl]-N,N-dimethylaniline
CID 53231787
3-(methoxymethyl)-N-methylaniline
CID 23080905
[3-(methylamino)phenyl]methanesulfonamide
CID 71121973

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-N-methylaniline?
The IUPAC name of 3-(azidomethyl)-N-methylaniline (CID 150848183) is 3-(azidomethyl)-N-methylaniline.
What is the SMILES notation for 3-(azidomethyl)-N-methylaniline?
The canonical SMILES for 3-(azidomethyl)-N-methylaniline is CNc1cccc(CN=[N+]=[N-])c1.
What is the InChIKey of 3-(azidomethyl)-N-methylaniline?
The InChIKey is KPLPGQPEHOXDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-10-8-4-2-3-7(5-8)6-11-12-9/h2-5,10H,6H2,1H3.
What are the key properties of 3-(azidomethyl)-N-methylaniline?
3-(azidomethyl)-N-methylaniline has a molecular weight of 162.20 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-N-methylaniline is sourced from PubChem (CID 150848183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).